P.Milart and J.Cioslowski, Synthesis (1984) 328, Selfcondensation of 4-Alkoxyacetophenone Anils: A New Route to 1.3.5-Tris[4-alkoxyphenyl]benzenes
J.Cioslowski and A.M.Turek, Tetrahedron 40 (1984) 2161, A Novel Compact Nomenclature of the Condensed Benzenoid Hydrocarbons
J.Cioslowski, Zeitschrift fur Naturforschung 39a (1984) 1250, Theoretical Determination of the Ground State Geometry of 1.3.5-Triphenylbenzene
J.Cioslowski Theoretica Chimica Acta 68 (1985) 315, Additive Nodal Increments for Approximate Calculation of the Total π-Electron Energy of Benzenoid Hydrocarbons
J.Cioslowski Chemical Physics Letters 122 (1985) 234, Decomposition of the Total π-Electron Energy of Polycyclic Hydrocarbons Into Benzene Ring Increments
J.Cioslowski and A.M.Turek Computers & Chemistry 9 (1985) 247, An Algorithm to Generate the Compact Name of Benzenoid Hydrocarbons
J.Cioslowski Zeitschrift fur Naturforschung 40a (1985) 1167, Upper Bound for Total π-Electron Energy of Benzenoid Hydrocarbons
J.Cioslowski Zeitschrift fur Naturforschung 40a (1985) 1169, The Use of the Gauss-Chebyshev Quadrature in Estimation of the Total π-Electron Energy of Benzenoid Hydrocarbons
J.Cioslowski Tetrahedron 42 (1986) 735, A CNDO/S Study on the Alkylbenzene-TCNE Complexes
J.Cioslowski and A.M.Turek Zeitschrift fur Naturforschung 40a (1985) 1299, On the Validity of the Mulliken-Type Model in Describing the Benzene - Tetracyanoethylene Complex
W.Jarzeba, J.Najbar, and J.Cioslowski Journal of Molecular Structure 141 (1986) 469, Internal Heavy Atom Effects for Chloro- and Bromoquinolines
J.Cioslowski MATCH 19 (1986) 163 Nodal Increments Approach to the Topological Resonance Energy of Benzenoid Hydrocarbons
J.Cioslowski and I.Gutman Zeitschrift fur Naturforschung 41a (1986) 861 Upper Bounds for the Total π-Electron Energy of Benzenoid Hydrocarbons and Their Relations
J.Cioslowski, A.Baranski, and T.Juska Tetrahedron 42 (1986) 4549 A Simple Algorithm for the Calculation of the π-Ionization Energies of Substituted Benzenes
J.Cioslowski MATCH 20 (1986) 95 The Generalized McClelland Formula
J.Cioslowski MATCH 20 (1986) 103 Further Applications of the Additive Nodal Increments
J.Cioslowski and M.D.Wala MATCH 20 (1986) 209 A Critical Examination of Various Nomenclature Systems of Condensed Benzenoid Hydrocarbons and Their Comparison with the Compact Naming
J.Cioslowski and M.Wala MATCH 21 (1986) 195 Polycyclic Benzenoid Hydrocarbons - The Primary Data Source
J.Cioslowski and M.Kertesz Journal of Chemical Physics 85 (1986) 7193 An Irregular Dependence of the Total Electronic Energy of Clusters on Their Size
J.Cioslowski Theoretica Chimica Acta 70 (1986) 443 The Spectral Radius of the Adjacency Matrix of the Benzenoid Hydrocarbon
J.Cioslowski Physical Review Letters 58 (1987) 83 Connected-Moments Expansion : A New Tool for Quantum Many-Body Theory
J.Cioslowski Journal of Chemical Physics 86 (1987) 2105 A Ground State Steepest Descent Perturbation Theory
J.Cioslowski International Journal of Quantum Chemistry 31 (1987) 581 A Unified Theory of the Stability of Benzenoid Hydrocarbons
J.Cioslowski International Journal of Quantum Chemistry 31 (1987) 605 Algebraic Structure Count of Rotagraphs
J.Cioslowski Chemical Physics Letters 134 (1987) 507 Graph Theoretical Approach to the Topological Spin Hamiltonian Applied to Conjugated Molecules
I.Gutman and J.Cioslowski Zeitschrift fur Naturforschung 42a (1987) 438 Bounds for the Hosoya Index
J.Cioslowski Chemical Physics Letters 136 (1987) 515 The Connected Moments Expansion for the Zero-Point Energy of Coupled Anharmonic Oscillators
J.Cioslowski Chemical Physics Letters 137 (1987) 78 Steepest Descent Perturbation Theory for a Nonlinear Schrodinger Equation Describing the Solvent-Molecule Interaction
J.Cioslowski Physical Review A 36 (1987) 374 Connected Moments Expansion for the Ground-State Energy of Systems Described by Nonlinear Hamiltonians
J.Cioslowski, M.Kertesz, P.R.Surjan, and R.A.Poirier Chemical Physics Letters 138 (1987) 516 Connected Moments Expansion Calculations of the Correlation Energy in Small Molecules
J.Cioslowski Journal of Computational Chemistry 8 (1987) 906 Computer Enumeration of Polyhexes Using the Compact Naming Approach
J.Cioslowski MATCH 22 (1987) 245 The Topological Spin Hamiltonian - A New Perspective for the Chemical Graph Theory?
J.Cioslowski International Journal of Quantum Chemistry 31 (1987) 451 The Functional Derivatives of the Rayleigh's Quotient - Concept and Applications
J.Cioslowski Physical Review A36 (1987) 3441 Estimation of the Overlap Between the Approximate and Exact Wavefunction of the Ground State from the Connected-Moments Expansion
A.T.Balaban, J.Brunvoll, J.Cioslowski, B.N.Cyvin, S.J.Cyvin, I.Gutman, He Wenchen, He Wenjie, J.V.Knop, M.Kovacevic, W.R.Muller, K.Szymanski, R.Tosic, and N.Trinajstic Zeitschrift fur Naturforschung 42a (1987) 863 Enumeration of Benzenoid and Coronoid Hydrocarbons
J.Cioslowski Croatica Chemica Acta 60 (1987) 269 The Compact Nomenclature of the Benzenoid Hydrocarbons: A Short Review
J.Cioslowski International Journal of Quantum Chemistry S21 (1987) 563 A Study of the Connected Moments Expansions for the Correlation Energy via an Exactly Soluble Problem
J.Cioslowski and M.Kertesz QCPE Bulletin 7 (1987) 159 Davidson-Fletcher-Powell vs. Broyden-Fletcher-Goldfarb-Shanno Optimization Procedures in Semiempirical Molecular and Solid State MNDO Calculations
I.Gutman and J.Cioslowski Publ.Inst.Math. (Belgrade) 42 (1987) 21 Bounds for the Number of Perfect Matchings in Hexagonal Systems
J.Cioslowski and M.Kertesz Journal of Chemical Physics 88 (1988) 2088 Note on the Finite Number of Interacting Neighbors and the Finite Number of k-Points Effects on the Total Electronic Energy of a Metallic Polymer
J.Cioslowski Journal of Chemical Physics 88 (1988) 2089 Note on the Relation Between Total Electronic Energy and the Sum of Orbital Energies
J.Cioslowski Physical Review A 37 (1988) 4023 Hartree-Fock Exchange Energy from the Application of Generalized Pade Approximants to the First-Order Density Matrix
J.Cioslowski Physical Review Letters 60 (1988) 2141 Density Functionals for the Energy of Electronic Systems - An Explicit Variational Construction
J.Cioslowski and O.E.Polansky Theoretica Chimica Acta 74 (1988) 55 Topological Hamiltonian Spectra of Polycyclic Benzenoid Hydrocarbons
J.Cioslowski Journal of Chemical Physics 89 (1988) 2126 Why Does the Aitken Extrapolation Often Help to Attain Convergence in Self-Consistent Field Calculations?
J.Cioslowski International Journal of Quantum Chemistry 34 (1988) 217 The Generalized Pade Approximants and the Chemical Graph Theory
J.Cioslowski and D.Bessis International Journal of Quantum Chemistry 34 (1988) 225 Extrapolation of the Total Energy of Polymers to the Bulk Limit Using Generalized Pade Approximants
J.Cioslowski Journal of Chemical Physics 89 (1988) 4871 Density Driven Self-Consistent Field Method: I. Derivation and Basic Properties
J.Cioslowski International Journal of Quantum Chemistry 34 (1988) 417 Total π-Electron Energy in the "Variable-β" Huckel Method
J.Cioslowski Chemical Physics Letters 153 (1988) 446 On Extracting the Bulk Properties from Results of Small Cluster Calculations
A.Graovac and J.Cioslowski Croatica Chemica Acta 61 (1988) 797 An Approximate Spectral Density for the Estimation of Some Topological Indices of Alternant Systems
J.Cioslowski Physical Review A 39 (1989) 378 Calculation of the Atomic Electron Density at the Nucleus Using the Baker-Gammel Approximants
J.Cioslowski Theoretica Chimica Acta 75 (1989) 271 Molecular Geometries from Spin Hamiltonian Calculations through Simultaneous Optimization of Geometry and Wavefunction
J.Cioslowski Physical Review Letters 62 (1989) 1469 General and Unique Partitioning of Molecular Electronic Properties into Atomic Contributions
J.Cioslowski and M.Kertesz Journal of Physical Chemistry 93 (1989) 3237 Chemisorption on Metals: The Method of Moments Point of View
J.Cioslowski Computer Physics Communications 53 (1989) 117 Principles of ab Initio SCF Calculations with Minimal Storage Requirements
J.Cioslowski Theoretica Chimica Acta 76 (1989) 47 Series Analysis Methods in Enumeration of Chemical Isomers
J.Cioslowski Journal of the American Chemical Society 111 (1989) 8333 A New Population Analysis Based on Atomic Polar Tensors
J.Cioslowski and M.Levy Physical Review A 40 (1989) 6727 Comment on "Density Matrix Formulation of ab Initio Methods of Nonrelativistic Quantum Mechanics"
J.Cioslowski International Journal of Quantum Chemistry S23 (1989) 255 Density Driven Self-Consistent Field Method: II. Construction of All One-Particle Wavefunctions that Are Orthonormal and Sum up to a Given Density
J.Cioslowski Journal of Chemical Physics 92 (1990) 1236 Bulk Properties from Finite-Cluster Calculations: V. Pseudo-Wannier Orbitals from Molecular Orbital Calculations on Finite Clusters
J.Cioslowski Topics in Current Chemistry 153 (1990) 85 Scaling Properties of Topological Invariants
J.Cioslowski, P.J.Hay, and J.P.Ritchie Journal of Physical Chemistry 94 (1990) 148 Charge Distributions and Effective Atomic Charges in Transition Metal Complexes Using Generalized Atomic Polar Tensors and Topological Analysis
J.Cioslowski International Journal of Quantum Chemistry 37 (1990) 291 Partitioning of Electronic Properties in Two-Center, One-Electron Coulombic Systems
J.Cioslowski and P.J.Hay Journal of the American Chemical Society 112 (1990) 1707 Electronic Structure of Borabenzene and Its Adducts with Carbon Monoxide and Nitrogen
J.Cioslowski Physical Review A 41 (1990) 3458 Density Driven Self-Consistent Field Method: Density Functionals for Electron Correlation Energy
J.Cioslowski MATCH 25 (1990) 83 A Final Solution to the Problem Concerning the (N,M,K)-Dependence of the Total π-Electron Energy of Conjugated Systems?
J.Cioslowski, T.Hamilton, G.Scuseria, B.A.Hess, Jr., J.Hu, L.J.Schaad, and M.Dupuis Journal of the American Chemical Society 112 (1990) 4183 Application of the GAPT Population Analysis to Some Organic Molecules and Transition Structures
E.D.Fleischmann and J.Cioslowski Chemical Physics Letters 168 (1990) 265 Molecular Orbital Calculations on the Peroxydimethoxyl Dianion, an Intermediate of the Blank-Finkenbeiner Reaction
J.Cioslowski and S.T.Mixon Chemical Physics Letters 170 (1990) 297 Unusual Bonding in the 1,1,1-Triamino-2,2,2-tricyanoethane Molecule
J.Cioslowski Journal of Physical Chemistry 94 (1990) 5496 Nonnuclear Attractors in the Li2 molecule
J.Cioslowski Theoretica Chimica Acta 77 (1990) 253 Bulk Properties from Finite-Cluster Calculations: IV. Linear Chains of Hydrogen Fluoride
J.Cioslowski Journal of the American Chemical Society 112 (1990) 6536 Two Isomers of the Li2C2O2 Molecule: An ab Initio Study
J.Cioslowski Advances in Quantum Chemistry 21 (1990) 303 Density Functional Reformulation of Molecular Orbital Theories
J.Cioslowski International Journal of Quantum Chemistry S24 (1990) 15 Isopycnic Orbital Transformations and Localization of Natural Orbitals
J.Cioslowski and E.D.Fleischmann Journal of the American Chemical Society 113 (1991) 64 Assessing Molecular Similarity from Results of ab Initio Electronic Structure Calculations
J.Cioslowski, S.T.Mixon, and W.D.Edwards Journal of the American Chemical Society 113 (1991) 1083 Weak Bonds in the Topological Theory of Atoms in Molecules
J.Cioslowski, P.B.O'Connor, and E.D.Fleischmann Journal of the American Chemical Society 113 (1991) 1086 Is Superbenzene Superaromatic?
J.Cioslowski Physical Review A 43 (1991) 1223 Density-Driven Self-Consistent Field Method: Density Constrained Correlation Energies in the Helium Series
J.Cioslowski Journal of Mathematical Chemistry 6 (1991) 111 A Conjecture on Benzenoid Graphs
J.Cioslowski and E.D.Fleischmann Journal of Chemical Physics 94 (1991) 3730 Endohedral Complexes: Atoms and Ions Inside the C60 Cage
J.Cioslowski International Journal of Quantum Chemistry 34 (1991) 681 Single-Excitations-Adapted Molecular Orbitals for a Simplified Description of Electronic Excited States
J.Cioslowski Journal of the American Chemical Society 113 (1991) 4139 Endohedral Chemistry: Electronic Structures of Molecules Trapped Inside the C60 Cage
J.Cioslowski and S.T.Mixon Journal of the American Chemical Society 113 (1991) 4142 Covalent Bond Orders in the Topological Theory of Atoms in Molecules
J.Cioslowski, S.T.Mixon, and E.D.Fleischmann Journal of the American Chemical Society 113 (1991) 4751 Electronic Structures of Trifluoro-, Tricyano-, and Trinitromethane and Their Conjugate Bases
J.Cioslowski Chemical Physics Letters 181 (1991) 68 Electronic Structures of the Icosahedral C60H60 and C60F60 Molecules
J.Cioslowski QCPE Bulletin 11 (1991) 32 NOEL: Number of Overlapping Electrons - A Molecular Similarity Index
M.Challacombe and J.Cioslowski Journal of Chemical Physics 95 (1991) 1064 Coordinate Transformations of Cubic Force Constants and Transferability of Anharmonic Force Constants in Internal Coordinates
J.Cioslowski Journal of the American Chemical Society 113 (1991) 6756 Quantifying the Hammond Postulate: Intramolecular Proton Transfer in Substituted Hydrogen Catecholate Anions
S.T.Mixon and J.Cioslowski Journal of the American Chemical Society 113 (1991) 6760 Covalent vs. Ionic Bonding in Hexasubstituted "Push-Pull" Ethanes
J.Cioslowski and M.B.Lepetit Journal of Chemical Physics 95 (1991) 3536 Bulk Properties from Finite-Cluster Calculations: VI. A Finite-Size Perturbation Theory for the Hartree-Fock Energy of Linear Oligomers
A.Baranski and J.Cioslowski Collection of Czechoslovak Chemical Communications 56 (1991) 1167 MNDO Study of the [2+3] Cycloaddition of Nitroethene to Formonitrile N-Oxide
J.V.Ortiz and J.Cioslowski Chemical Physics Letters 185 (1991) 270 Molecular Similarity Indices in Electron Propagator Theory
J.Cioslowski and M.Challacombe QCPE Bulletin 4 (1991) 74 ANHTRAX: Cubic Force Constants in User-specified Non-degenerate Internal Coordinates
J.Cioslowski Journal of Mathematical Chemistry 8 (1991) 169 Partitioning of the Orbital Overlap Matrix and the Localization Criteria
J.Cioslowski and M.Challacombe International Journal of Quantum Chemistry S25 (1991) 81 Maximum Similarity Orbitals for Analysis of the Electronic Excited States
J.Cioslowski Theoretica Chimica Acta 81 (1992) 319 Differential Density Matrix Overlap: An Index for Assessment of Electron Correlation in Atoms and Molecules
J.Cioslowski and P.R.Surjan Journal of Molecular Structure (THEOCHEM) 255 (1992) 9 An Observable-Based Interpretation of Electronic Wavefunctions: Application to "Hypervalent" Molecules
J.Cioslowski and S.T.Mixon Journal of the American Chemical Society 114 (1992) 4382 The Topological Properties of Electron Density in Search of Steric Interactions in Molecules: Electronic Structure Calculations on ortho-Substituted Biphenyls
J.Cioslowski and A.Nanayakkara Journal of Chemical Physics 96 (1992) 8354 Endohedral Effect in Inclusion Complexes of the C60 Cluster
J.Cioslowski and J.V.Ortiz Journal of Chemical Physics 96 (1992) 8379 One-Electron Density Matrices and Energy Gradients in Second-Order Electron Propagator Theory
J.Cioslowski and J.D.Watts Chemical Physics Letters 193 (1992) 580 Accuracy of the First-Order Density Matrices Calculated with Approximate Coupled-Cluster Methods Including Triple Excitations
J.Cioslowski Chemical Physics Letters 194 (1992) 73 An Efficient Evaluation of Atomic Properties Using a Vectorized Numerical Integration with Dynamic Thresholding
J.Cioslowski and S.T.Mixon Canadian Journal of Chemistry 70 (1992) 443 Universality among Topological Properties of Electron Density Associated with the Hydrogen-Hydrogen Nonbonding Interactions
J.Cioslowski and M.Challacombe Theoretica Chimica Acta 83 (1992) 185 The Hiller-Sucher-Feinberg Density Is Not Integrable
J.Cioslowski Spectroscopic and Computational Studies of Supramolecular Systems (Kluwer) p.269 Ab Initio Electronic Structure Calculations on Endohedral Complexes of the C60 Cluster
K.B.Wiberg, C.M.Hadad, P.R.Rablen, and J.Cioslowski Journal of the American Chemical Society 114 (1992) 8644 Substituent Effects. 4. Nature of Substituent Effects at Carbonyl Groups
J.Cioslowski and A.Nanayakkara Physical Review Letters 69 (1992) 2871 Endohedral Fullerites: A New Class of Ferroelectric Materials
J.Cioslowski and M.L.McKee Journal of Physical Chemistry 96 (1992) 9264 Rigorous Interpretation of Electronic Wavefunctions: I. Electronic Structures of BH3, B2H6, B3H7, and B3H9
J.Cioslowski and A.Nanayakkara International Journal of Modern Physics B 6 (1992) 3687 Ab Initio Electronic Structure Calculations on Dodecahedral Clusters of Twenty Water Molecules and Their Gas-Phase Clathrates with Alkali Metal Cations
J.Cioslowski Journal of Chemical Physics 98 (1993) 473 Bulk Properties from Finite-Cluster Calculations: VII. Accurate ab Initio Calculations on the Peierls Distortions in Polyacene
J.Cioslowski and S.T.Mixon Journal of the American Chemical Society 115 (1993) 1084 Electronegativities in Situ, Bond Hardnesses, and Charge-Transfer Components of Bond Energies from the Topological Theory of Atoms in Molecules
J.Cioslowski Reviews in Computational Chemistry Vol.4 (VCH) p.1 Ab Initio Calculations on Large Molecules: Methodology and Applications
J.Cioslowski, A.Nanayakkara, and M.Challacombe Chemical Physics Letters 203 (1993) 137 Rapid Evaluation of Atomic Properties with Mixed Analytical/Numerical Integration
J.Cioslowski, J.Sauer, J.Hetzenegger, T.Karcher, and T.Hierstetter Journal of the American Chemical Society 115 (1993) 1353 Ab Initio Quantum-Mechanical and Experimental Mechanistic Studies of Diels-Alder Reactions Between Unsubstituted and Phenyl-Substituted Acetylenes and 1,2,4,5-Tetrazines
J.Cioslowski and S.T.Mixon Journal of Mathematical Chemistry 12 (1993) 29 Exact Topological p-Electron Hamiltonians from ab Initio Wavefunctions?
J.Cioslowski and K.Raghavachari Journal of Chemical Physics 98 (1993) 8734 Electrostatic Potential, Polarization, Shielding, and Charge Transfer in Endohedral Complexes of the C60, C70, C76, C78, C82, and C84 Clusters
J.Cioslowski Journal of the American Chemical Society 115 (1993) 5177 Rigorous Interpretation of Electronic Wavefunctions: III. Theoretical Confirmation of a Three-Center, Two-Electron C-H-C Bond in the in-Bicyclo[4.4.4]tetradecyl Cation
J.Cioslowski and S.T.Mixon Inorganic Chemistry 32 (1993) 3209 Rigorous Interpretation of Electronic Wavefunctions: II. Electronic Structures of Selected Phosphorus, Sulfur, and Chlorine Fluorides and Oxides
J.Cioslowski and B.B.Stefanov Journal of Chemical Physics 99 (1993) 5151 Electron Flow and Electronegativity Equalization in the Process of Bond Formation
J.Cioslowski and A.Nanayakkara Journal of Chemical Physics 99 (1993) 5163 Electron Correlation Contributions to One-Electron Properties from Functionals of the Hartree-Fock Electron Density
G.Boche, J.C.W.Lohrenz, J.Cioslowski, and W.Koch The Chemistry of Sulfur Containing Functional Groups (Wiley) p.339 Carbon Acidity Resulting from Sulfur Substituents
J.Cioslowski and E.D.Fleischmann Croatica Chemica Acta 66 (1993) 113 Ab Initio Electronic Structure Calculations of Molecular Similarity: A Case Study of 4-Aminobutyric Acid and Its Agonists
J.Cioslowski, M.Martinov, and S.T.Mixon Journal of Physical Chemistry 97 (1993) 10948 Atomic Fukui Indices from the Topological Theory of Atoms in Molecules Applied to Hartree-Fock and Correlated Electron Densities
J.Cioslowski and E.J.Weniger Journal of Computational Chemistry 14 (1993) 1468 Bulk Properties from Finite Cluster Calculations. VIII. Benchmark Calculations on the Efficiency of Extrapolation Methods for the HF and MP2 Energies of Polyacenes
J.Cioslowski International Journal of Quantum Chemistry S27 (1993) 309 Rigorous Interpretation of Electronic Wavefunctions: IV. Origins of the Unusual Stability of the 1,3-Dimethylimidazol-2-ylidene Carbene
J.Cioslowski and A.Nanayakkara Journal of the American Chemical Society 115 (1993) 11213 Similarity of Atoms in Molecules
J.Cioslowski Chemical Physics Letters 216 (1993) 389 Heats of Formation of Higher Fullerenes from ab Initio Hartree-Fock and Correlation Energy Functional Calculations
M.Challacombe and J.Cioslowski Journal of Chemical Physics 100 (1994) 464 Efficient Implementation of the Hiller-Sucher-Feinberg Identity for the Accurate Determination of the Electron Density
J.Cioslowski International Journal of Quantum Chemistry 49 (1994) 463 Electronic Structure of the Benzene-Tetracyanoethylene Complex: A Synthesis of Molecular Orbital and Density Functional Descriptions
J.Cioslowski and A.Nanayakkara Chemical Physics Letters 219 (1994) 151 A New Robust Algorithm for Fully Automated Determination of Attractor Interaction Lines in Molecules
A.Nanayakkara and J.Cioslowski Journal of Molecular Graphics 12 (1994) 38 RhoScope: A Highly Portable class="info" Computer Program for Visualization of the Zero-Flux Atomic Surfaces
J.Cioslowski Journal of the American Chemical Society 116 (1994) 3619 Endohedral Magnetic Shielding in the C60 Cluster
J.Cioslowski and M.Martinov Journal of Chemical Physics 101 (1994) 366 The Atomic Softness Matrix
W.Luo, H.Wang, R.S.Ruoff, J.Cioslowski, and S.Phelps Physical Review Letters 73 (1994) 186 Susceptibility Discontinuity in Single Crystal C60
J.Cioslowski and M.Challacombe Chemical Physics Letters 224 (1994) 175 Nuclear Cusps in the HSF Electron Density
M.Challacombe and J.Cioslowski Chemical Physics Letters 224 (1994) 179 A Basis Set Convergence Study of Conventional and HSF Electron Densities in the Li2 Molecule
J.Cioslowski Chemical Physics Letters 227 (1994) 361 Endohedral Magnetic Shielding in Fullerenes: A GIAO CPHF Study
M.Challacombe and J.Cioslowski Molecular Physics 83 (1994) 171 Accurate Electron Densities from the Hiller-Sucher-Feinberg Identity Applied to Constrained Wavefunctions
J.Cioslowski International Journal of Mass Spectrometry and Ion Processes 138 (1994) 107 Ab Initio Electronic Structure Calculations on Highly Charged Cations of the C60 Cluster
J.Cioslowski and Q.Lin Journal of the American Chemical Society 117 (1995) 2553 Guest Discrimination in Complexes of Alkali Metal Cations with the C36H36 Spheriphane: An ab Initio Electronic Structure Study
J.Cioslowski and B.B.Stefanov Molecular Physics 84 (1995) 707 Variational Determination of the Zero-Flux Surfaces of Atoms in Molecules
J.Cioslowski and M.Martinov Journal of Chemical Physics 102 (1995) 7499 Spin-Resolved Analysis of Electronegativity Equalization and Electron Flow in Molecules
J.Cioslowski Electronic Structure Calculations on Fullerenes and Their Derivatives (Oxford University Press, 1995)
M.Martinov and J.Cioslowski Molecular Physics 85 (1995) 121 A Rigorous Energy Partitioning Scheme for Analysis of Molecular Interactions
J.Cioslowski and M.Martinov Journal of Chemical Physics 103 (1995) 4967 Effects of Solvation on Chemical Bonding: An Electron-Flow Analysis
J.Cioslowski, B.B.Stefanov, A.Tan, and C.J.Umrigar Journal of Chemical Physics 103 (1995) 6093 Electron Intracule Densities with Correct Electron Coalescence Cusps from HSF-type Identities
B.B.Stefanov and J.Cioslowski Journal of Computational Chemistry 16 (1995) 1394 An Efficient Approach to Calculation of Zero-Flux Surfaces and Generation of Atomic Integration Data
J.Cioslowski, L.Edgington, and B.B.Stefanov Journal of the American Chemical Society 117 (1995) 10381 Steric Overcrowding in Perhalogenated Cyclohexanes, Dodecahedranes, and [60]Fulleranes
J.Cioslowski, S.Patchkovskii, and W.Thiel Chemical Physics Letters 248 (1996) 116 Electronic Structures, Geometries, and Energetics of Highly Charged Cations of the C60 Fullerene
J.Cioslowski and M.Martinov Journal of Physical Chemistry 100 (1996) 6156 Electronegativity Equalization in Polyyne Carbon Chains
J.Cioslowski, G.Liu, M.Martinov, P.Piskorz, and D.Moncrieff Journal of the American Chemical Society 118 (1996) 5261 Energetics and Site Specificity of the Homolytic C-H Bond Cleavage in Benzenoid Hydrocarbons: An ab Initio Electronic Structure Study
J.Cioslowski, G.Liu, and D.Moncrieff Journal of Organic Chemistry 61 (1996) 4111 Nonclassical Aryl Radicals: Intermediates or Transition States for the Hydrogen Shift Reactions?
J.Cioslowski and P.Piskorz Chemical Physics Letters 255 (1996) 315 Properties of Atoms in Molecules from Valence-Electron Densities Augmented with Core-Electron Contributions
J.Cioslowski and B.B.Stefanov Chemical Physics Letters 256 (1996) 449 Symmetry Handling in Calculations of Properties of Atoms in Molecules
J.Cioslowski, B.B.Stefanov, and P.Constans Journal of Computational Chemistry 17 (1996) 1352 Efficient Algorithm for Quantitative Assessment of Similarities among Atoms in Molecules
J.Cioslowski Molecular Physics 88 (1996) 621 Theory of Response Properties of Atoms in Molecules
B.B.Stefanov and J.Cioslowski Canadian Journal of Chemistry 74 (1996) 1263 Variability of Shapes and Properties of Atoms in Molecules: A Case Study of the Carbonyl Oxygen
J.Cioslowski and G.Liu Journal of Chemical Physics 105 (1996) 4151 Fast Evaluation of Electron Intracule and Extracule Densities on Large Grids of Points
J.Cioslowski and G.Liu Journal of Chemical Physics 105 (1996) 8187 Topology of Electron-Electron Interactions in Atoms and Molecules: I. The Hartree-Fock Approximation
J.Cioslowski and B.B.Stefanov Journal of Chemical Physics 105 (1996) 8741 Analytical Derivatives of Atomic Zero-Flux Surfaces and Properties of Atoms in Molecules with Respect to External Perturbations
J.Cioslowski and T.Varnali Journal of Physical Chemistry 100 (1996) 18725 Systematic Analysis of Substituent Effects: I. Geminal and Vicinal Interactions in Fluorochloroethanes
J.Cioslowski, P.Piskorz, G.Liu, and D.Moncrieff Journal of Physical Chemistry 100 (1996) 19333 Regularities in Energies and Geometries of Biaryls: An ab Initio Electronic Structure Study
J.Cioslowski, G.Liu, and D.Moncrieff Journal of Physical Chemistry A 101 (1997) 957 Energetics of the Homolytic C-H and C-Cl Bond Cleavages in Polychlorobenzenes: The Role of Electronic and Steric Effects
B.B.Stefanov and J.Cioslowski Advances in Molecular Similarity Vol.1 (JAI Press) p.43 Similarity of Atoms in Molecules
J.Cioslowski and G.Boche Angewandte Chemie 36 (1997) 107 Geometry-Tunable Lewis Acidity of Amidinium Cations and Its Relevance to Redox Reactions of the Thauer Metal-Free Hydrogenase: A Theoretical Study
J.Cioslowski, P.Piskorz, and P.Rez Journal of Chemical Physics 106 (1997) 3607 Accurate Analytical Representations of the Core-Electron Densities of the Elements 3 through 118
J.Cioslowski, A.P.Scott, and L.Radom Molecular Physics 91 (1997) 413 Catastrophes, Bifurcations, and Hysteretic Loops in Torsional Potentials of Internal Rotations in Molecules
J.Cioslowski and G.Liu Chemical Physics Letters 277 (1997) 299 Electrostatic Interaction Energies from a Generalized Gaussian Quadrature
J.Cioslowski and X.Gao International Journal of Quantum Chemistry S31 (1997) 609 Transannular Interactions in S82+ and Se82+ : Reality or Artifact?
J.Cioslowski, P.Piskorz, and G.Liu Journal of Chemical Physics 107 (1997) 6804 Ionization Potentials and Electron Affinities from the Extended Koopmans' Theorem Applied to Energy-Derivative Density Matrices: The EKTMPn and EKTQCISD Methods
J.Cioslowski, G.Liu, and D.Moncrieff Journal of the American Chemical Society 119 (1997) 11452 Thermochemistry of Homolytic C-C, C-H, and C-Cl Bond Dissociations in Polychloroethanes: Benchmark Electronic Structure Calculations
J.Cioslowski, P.Piskorz, and D.Moncrieff Journal of the American Chemical Society 120 (1998) 1695 Electronic Structure Studies of 1,2-Didehydrogenation of Arenes and Rearrangement of Arynes to Annelated Cyclopentadienylidenecarbenes
J.Cioslowski and A.Liashenko Journal of Chemical Physics 108 (1998) 4405 Atomic Orbitals in Molecules
J.Cioslowski, P.Piskorz, M.Schimeczek, and G.Boche Journal of the American Chemical Society 120 (1998) 2612 Diversity of Bonding in Methyl Ate Anions of the First- and Second-Row Elements
J.Cioslowski, P.Piskorz, and D.Moncrieff Journal of Organic Chemistry 63 (1998) 4051 Thermally Induced Cyclodehydrogenation of Biaryls: A Simple Radical Reaction or a Sequence of Rearrangements?
J.Cioslowski and R.Lopez-Boada Journal of Chemical Physics 109 (1998) 1230 Properties of Electron Density and Other One-Electron Observables Derived from Generalized Hiller-Sucher-Feinberg Identities
J.Cioslowski and R.Lopez-Boada Journal of Chemical Physics 109 (1998) 4156 Approximate One-Electron Density Matrix Functionals for the Electron-Electron Repulsion Energy from the Hypervirial Theorem
G.Boche, M.Schimeczek, J.Cioslowski, and P.Piskorz European Journal of Organic Chemistry (1998) 1851 The Role of Ate Complexes in Halogen(Metalloid)-Lithium Exchange Reactions: A Theoretical Study
J.Cioslowski and G.Liu Journal of Chemical Physics 109 (1998) 8225 Electron Intracule Densities and Coulomb Holes from Energy-Derivative Two-Electron Reduced Density Matrices
J.Cioslowski, G.Liu, and P.Piskorz Journal of Physical Chemistry A 102 (1998) 9890 Computationally Inexpensive Theoretical Thermochemistry
J.Cioslowski, G.Liu, and D.Moncrieff Journal of Physical Chemistry A 102 (1998) 9965 Theoretical Thermochemistry of Homolytic C-C and C-Cl Bond Dissociations in Unbranched Perchloroalkanes
J.Cioslowski and G.Liu Journal of Chemical Physics 110 (1999) 1882 Topology of Electron-Electron Interactions in Atoms and Molecules: II. The Correlation Cage
J.Cioslowski Pauling's Legacy: Modern Modelling of the Chemical Bond, Theoretical and Computational Chemistry Vol.6 (Elsevier) p.1 Theoretical Treatise on Molecular Geometry and Structure
J.Cioslowski and T.Varnali International Journal of Quantum Chemistry 72 (1999) 331 Systematic Analysis of Substituent Effects: II. Charges and Energies of Atoms in Fluorochloroethanes
J.Cioslowski, M.Schimeczek, P.Piskorz, and D.Moncrieff Journal of the American Chemical Society 121 (1999) 3773 Thermal Rearrangement of Ethynylarenes to Cyclopentafused Polycyclic Aromatic Hydrocarbons: An Electronic Structure Study
J.Cioslowski and R.Lopez-Boada Chemical Physics Letters 307 (1999) 445 The Electron-Electron Repulsion Energy as a Functional of the Hartree-Fock One-Electron Density Matrix
J.Cioslowski and K.Pernal Journal of Chemical Physics 111 (1999) 3396 Constraints upon Natural Spinorbital Functionals Imposed by Properties of a Homogeneous Electron Gas
J.Cioslowski, G.Liu, J.Rychlewski, W.Cencek, and J.Komasa Journal of Chemical Physics 111 (1999) 3401 Topology of Electron-Electron Interactions in Atoms and Molecules: III. Morphology of Electron Intracule Density in Two 1Σg+ States of the Hydrogen Molecule
J.Cioslowski, G.Liu, and D.Moncrieff Journal of Physical Chemistry A 103 (1999) 11465 Theoretical Thermochemistry of the 1-Buten-3-yn-1-yl Radical and Its Chloro Derivatives
J.Cioslowski, G.Liu, and D.Moncrieff Chemical Physics Letters 316 (2000) 536 The Concerted Trimerization of Ethyne to Benzene Revisited
J.Cioslowski and K.Pernal Physical Review A 61 (2000) 34503 Description of a Homogeneous Electron Gas with Simple Functionals of the One-Particle Density Matrix
J.Cioslowski, G.Liu, J.Rychlewski, W.Cencek, and J.Komasa Chemical Physics Letters 319 (2000) 542 Topology of Electron Correlation in the b3Σu+ State of the H2 Molecule
J.Cioslowski, N.Rao, and D.Moncrieff Journal of the American Chemical Society 122 (2000) 8265 Standard Enthalpies of Formation of Fullerenes and Their Dependence on Structural Motifs
J.Cioslowski Many-Electron Densities and Reduced Density Matrices (Kluwer) p. 249 Topology of Electron Correlation
J.Cioslowski and K.Pernal Journal of Chemical Physics 113 (2000) 8434 The Ground State of Harmonium
J.Cioslowski, M.Schimeczek, G.Liu, and V.Stoyanov Journal of Chemical Physics 113 (2000) 9377 A Set of Standard Enthalpies of Formation for Benchmarking, Calibration, and Parameterization of Electronic Structure Methods
J.Cioslowski, G.Liu, and R.A.Mosquera Castro Chemical Physics Letters 331 (2000) 497 Badger's Rule Revisited
J.Cioslowski, A.Szarecka, and D.Moncrieff Journal of Physical Chemistry A 105 (2001) 501 Conformations and Thermodynamic Properties of Sulfur Homocycles: I. The S5, S6, S7, and S8 Molecules
K.Pernal and J.Cioslowski Journal of Chemical Physics 114 (2001) 4359 On the Validity of the Extended Koopmans' Theorem
J.Cioslowski, P.Ziesche, and K.Pernal Physical Review B 63 (2001) 205105 On the Exactness of Simple Natural Spinorbital Functionals for a High-Density Homogeneous Electron Gas
J.Cioslowski and J.Karwowski Fundamentals of Molecular Similarity (Kluwer Academic) p.101 Quantum-Mechanical Theory of Atoms in Molecules: A Relativistic Formulation
J.Cioslowski, N.Rao, A.Szarecka, and K.Pernal Molecular Physics 99 (2001) 1229 Theoretical Thermochemistry of the C60F18, C60F36, and C60F48, Fluorofullerenes
J.Cioslowski and A.Szarecka Journal of Computational Chemistry 22 (2001) 1279 First-Principles Conformational Analysis of the C36H36 Spheriphane, a Prototype Hydrocarbon Host Cage
J.Cioslowski and K.Pernal Journal of Chemical Physics 115 (2001) 5784 Response Properties and Stability Conditions in Density Matrix Functional Theory
Z.Chen, J.Cioslowski, N.Rao, D.Moncrieff, M.Buhl, A.Hirsch, and W.Thiel Theoretical Chemistry Accounts 106 (2001) 364 Endohedral Chemical Shifts in Higher Fullerenes with 72-86 Carbon Atoms
J.Cioslowski, P.Ziesche, and K.Pernal Journal of Chemical Physics 115 (2001) 8725 Description of a High-Density Homogeneous Electron Gas with the Yasuda Density Matrix Functional
J.Cioslowski and K.Pernal Journal of Chemical Physics 116 (2002) 4802 Density Matrix Functional Theory of Weak Intermolecular Interactions
J.Cioslowski, A.Szarecka, and D.Moncrieff Molecular Physics 100 (2002) 1559 Conformations and Thermodynamic Properties of Sulfur Homocycles: II. The Fluxional S8+ Radical Cation
J.Cioslowski and K.Pernal Journal of Chemical Physics 117 (2002) 67 Variational Density Matrix Functional Theory Calculations with the Lowest-Order Yasuda Functional
J.Cioslowski, N.Rao, and D.Moncrieff Journal of the American Chemical Society 124 (2002) 8485 Electronic Structures and Energetics of [5,5] and [9,0] Single-Walled Carbon Nanotubes
J.Cioslowski, A.Szarecka, and D.Moncrieff International Journal of Quantum Chemistry 90 (2002) 1049 Conformations of the S5+ and S6+ Homocyclic Radical Cations
J.Cioslowski, K.Pernal, and P.Ziesche Journal of Chemical Physics 117 (2002) 9560 Systematic Construction of Approximate 1-Matrix Functionals for the Electron-Electron Repulsion Energy
J.Cioslowski, N.Rao, K.Pernal, and D.Moncrieff Journal of Chemical Physics 118 (2003) 4456 Endohedral Motions Inside Capped Single-Walled Carbon Nanotubes
M.Taut, K.Pernal, J.Cioslowski, and V.Staemmler Journal of Chemical Physics 118 (2003) 4861 Three Electrons in a Harmonic Oscillator Potential: Pairs vs. Single Particles
J.Cioslowski Handbook of Molecular Physics and Quantum Chemistry Vol.2 (Wiley) ch.33 Electronic Wave Function Analysis
J.Cioslowski and J.C.Dobrowolski Chemical Physics Letters 371 (2003) 317 Structural Dependence of Thermodynamic Stability of Unbranched Catacondensed Benzenoid Hydrocarbons
M.Mandado, A.Vila, A.M.Grana, R.A.Mosquera, and J.Cioslowski Chemical Physics Letters 371 (2003) 739 Transferability of Energies of Atoms in Organic Molecules
J.Cioslowski, A.Szarecka, and D.Moncrieff Molecular Physics 101 (2003) 839 Energetics, Electronic Structures, and Geometries of Didehydroazines
J.Cioslowski, A.Szarecka, and D.Moncrieff Molecular Physics 101 (2003) 1221 Energetics, Electronic Structures, and Geometries of Naphthalene, Quinoline, and Isoquinoline Analogs of 1,2-Didehydrobenzene
J.Cioslowski, K.Pernal, and M.Buchowiecki Journal of Chemical Physics 119 (2003) 6443 Approximate 1-Matrix Functionals for the Electron-Electron Repulsion Energy from Geminal Theories
J.Cioslowski, M.Buchowiecki, and P.Ziesche Journal of Chemical Physics 119 (2003) 11570 Density Matrix Functional Theory of Four-Electron Systems
K.Pernal and J.Cioslowski Annalen der Physik 13 (2004) 194 Behavior of the APSG Electronic Wavefunction Near the Electron-Electron Coalescence Point
K.Pernal and J.Cioslowski Journal of Chemical Physics 120 (2004) 5987 Phase Dilemma in Density Matrix Functional Theory
J.Cioslowski and K.Pernal Journal of Chemical Physics 120 (2004) 10364 Size Versus Volume Extensivity of a New Class of Density Matrix Functionals
J.Cioslowski and M.Buchowiecki Journal of Chemical Physics 122 (2005) 084102 Collective Natural Orbital Occupancies of Harmonium
J.Cioslowski and K.Pernal Physical Review B 71 (2005) 113103 Local-Density-Matrix Approximation: Exact Asymptotic Results for a High-Density Homogeneous Electron Gas
J.Cioslowski and P.Ziesche Physical Review B 71 (2005) 125105 Applicability of the Ladder Theory to the Three-Dimensional Homogeneous Electron Gas
P.Ziesche and J.Cioslowski Physica A 356 (2005) 598 The Three-Dimensional Electron Gas at the Weak-Correlation Limit: How Peculiarities of the Momentum Distribution and the Static Structure Factor Give Rise to Logarithmic Non-analyticities in the Kinetic and Potential Correlation Energies
K.Pernal and J.Cioslowski Chemical Physics Letters 412 (2005) 71 Ionization Potentials from the Extended Koopmans' Theorem Applied to Density Matrix Functional Theory
J.Cioslowski and D.Moncrieff Chemical Physics Letters 416 (2005) 113 A Benchmark Electronic Structure Study of the Wellington Elimination
J.Cioslowski Journal of Chemical Physics 123 (2005) 164106 New Constraints upon the Electron-Electron Repulsion Energy Functional of the One-Electron Reduced Density Matrix
J.Cioslowski and M.Buchowiecki Journal of Chemical Physics 123 (2005) 234102 Simple Approximants for Natural Orbitals of Harmonium
J.Cioslowski and M.Buchowiecki Journal of Chemical Physics 125 (2006) 064105 Wigner Molecules: Natural Orbitals of Strongly Correlated Two-Electron Harmonium
J.Cioslowski and K.Pernal Journal of Chemical Physics 125 (2006) 064106 Wigner Molecules: The Strong-Correlation Limit of the Three-Electron Harmonium
J.Cioslowski and K.Pernal Chemical Physics Letters 430 (2006) 188 Unoccupied Natural Orbitals in Two-Electron Coulombic Systems
J.Cioslowski and P.Ziesche Physical Review B 75 (2007) 085103 Ring-Diagram Summations and the Self-Energy of the Homogeneous Electron Gas at Its Weak-Correlation Limit
R.-H.Xie, J.Zhao, G.Sun, and J.Cioslowski Journal of Computational and Theoretical Nanoscience 4 (2007) 142 Fluorination Approach to Achieving Tunable-Optical-Gap and Large-Optical-Gap Nanomaterials from Carbon-Caged Nanoparticles
J.Cioslowski, E.Matito, and M.Sola Journal of Physical Chemistry A 111 (2007) 6521 Properties of Aromaticity Indices Based on the One-Electron Density Matrix
K.Pernal and J.Cioslowski Physical Chemistry Chemical Physics 9 (2007) 5956 Frequency-Dependent Response Properties and Excitation Energies from One-Electron Density Matrix Functionals
J.Cioslowski and E.Grzebielucha Physical Review A 77 (2008) 032508 Strong-Correlation Limit of Four Electrons in an Isotropic Harmonic Trap
J.Cioslowski and M.Buchowiecki Chemical Physics Letters 456 (2008) 146 Coulomb Crystals of Few Particles: Closed-Form Expressions for Equilibrium Energies and Geometries, and Vibrational Force Constants
J.Cioslowski Journal of Chemical Physics 128 (2008) 164713 Properties of Coulomb Crystals: Rigorous Results
J.Cioslowski and E.Grzebielucha Physical Review E 78 (2008) 026416 Parameter-Free Shell Model of Spherical Coulomb Crystals
J.Cioslowski and E.Grzebielucha Journal of Chemical Physics 130 (2009) 094902 Zero-Point Vibrational Energies of Spherical Coulomb Crystals
J.Cioslowski Physical Review E 79 (2009) 046405 Modified Thomson Problem
J.Cioslowski and E.Grzebielucha Journal of Chemical Physics 132 (2010) 024708 Screening-Controlled Morphologies of Yukawa Crystals
E.Matito, J.Cioslowski, and S.F.Vyboishchikov Physical Chemistry Chemical Physics 12 (2010) 6712 Properties of Harmonium Atoms from FCI Calculations: Calibration and Benchmarks for the Ground State of the Two-Electron Species
J.Cioslowski Journal of Chemical Physics 133 (2010) 234902 Shell Structures of Assemblies of Equicharged Particles Subject to Radial Power-Law Confining Potentials
J.Cioslowski and E.Matito Journal of Chemical Physics 134 (2011) 116101 The Weak-Correlation Limit of the Three-Electron Harmonium Atom
J.Cioslowski and E.Grzebielucha Journal of Chemical Physics 134 (2011) 124305 Shell Model of Assemblies of Equicharged Particles Subject to Radial Confining Potentials
J.Cioslowski and E.Matito Journal of Chemical Theory and Computation 7 (2011) 915 Benchmark Full Configuration Interaction Calculations on the Lowest-Energy 2P and 4P States of the Three-Electron Harmonium Atom
J.Cioslowski Journal of Chemical Physics 136 (2012) 044109 Robust Interpolation Between Weak- and Strong-Correlation Regimes of Quantum Systems
J.Cioslowski and J.Albin Journal of Chemical Physics 136 (2012) 114306 Shell Models of Two-Dimensional Coulomb Crystals: Assessment and Comparison with the Three-Dimensional Case
J.Cioslowski and J.Albin Journal of Mathematical Chemistry 50 (2012) 1378 Electrostatic Energy of Polygonal Charge Distributions
J.Cioslowski, K.Strasburger, and E.Matito Journal of Chemical Physics 136 (2012) 194112 The Three-Electron Harmonium Atom: The Lowest-Energy Doublet and Quadruplet States
R.Pop, M.Medeleanu, M.V.Diudea, B.Szefler, and J.Cioslowski Central European Journal of Chemistry 11 (2013) 528 Fullerene Patches by Flowers
J.Cioslowski and J.Albin Journal of Chemical Physics 139 (2013) 104306 Oscillatory and Fluctuating Terms in Energies of Assemblies of Equicharged Particles Subject to Spherically Symmetric Power-Law Confining Potentials
J.Cioslowski and J.Albin Journal of Chemical Physics 139 (2013) 114109 Asymptotic Equivalence of the Shell-Model and Local-Density Descriptions of Coulombic Systems Confined by Radially Symmetric Potentials in Two and Three Dimensions
J.Cioslowski Journal of Chemical Physics 139 (2013) 224108 The Weak-Correlation Limits of Few-Electron Harmonium Atoms
J.Cioslowski Journal of Mathematical Chemistry 52 (2014) 1 Note on the Asymptotic Isomer Count of Large Fullerenes
R.Pop, M.Medeleanu, M.V.Diudea, B.Szefler, and J.Cioslowski Central European Journal of Chemistry 12 (2014) 90 Fullerene Patches by Flowers with Octagonal Core
J.Cioslowski Ante Graovac – Life and Works (MCM) p.101 Surely You’re Joking, Gosp. Graovac
J.Cioslowski Ante Graovac – Life and Works (MCM) p.303 Some Conjectures on Interparticle Distance Distributions in Solutions of the Thomson Problem
P.Ziesche and J.Cioslowski Journal of Modern Physics 5 (2014) 725 Cumulant Structure Factors of Jellium
J.Cioslowski, K.Strasburger, and E.Matito Journal of Chemical Physics 141 (2014) 044128 Benchmark Calculations on the Lowest-Energy Singlet, Triplet, and Quintet States of the Four-Electron Harmonium Atom
J.Cioslowski and J.Albin Journal of Mathematical Chemistry 52 (2014) 2520 Electrostatic Self-Energies of Discrete Charge Distributions on Jordan Curves
P.L.Ayers, R.J.Boyd, P.Bultinck, M.Caffarel, R.Carbó-Dorca, M.Causá, J.Cioslowski, J.Contreras-Garcia, D.L.Cooper, P.Coppens, C.Gatti, S.Grabowsky, P.Lazzeretti, P.Macchi, Á.Martín Pendás, P.L.A.Popelier, K.Ruedenberg, H.Rzepa, A.Savin, A.Sax, W.H.E.Schwarz, S.Shahbazian, B.Silvi, M.Solà, and V.Tsirelson Computational and Theoretical Chemistry 1053 (2015) 2 Six Questions on Topology in Theoretical Chemistry
J.Cioslowski Journal of Chemical Physics 142 (2015) 114104 One-Electron Reduced Density Matrices of Strongly Correlated Harmonium Atoms
J.Cioslowski Journal of Chemical Physics 142 (2015) 114105 The Coulomb, Exchange, and Correlation Components of the Electron-Electron Repulsion in Harmonium Atoms
J.Cioslowski Theoretical Chemistry Accounts 134 (2015) 113 Partial-Wave Decomposition of the Ground-State Wavefunction of the Two-Electron Harmonium Atom
J.Cioslowski, M.Piris, and E.Matito Journal of Chemical Physics 143 (2015) 214101 Robust Validation of Approximate 1-Matrix Functionals with Few-Electron Harmonium Atoms
J.Cioslowski and J.Albin Molecular Physics 114 (2016) 921 A Charge Granularity Correction to Electrostatic Self-Energies of Planar Charge Distributions
J.Cioslowski Journal of Chemical Physics 145 (2016) 026102 An Explicit Solution of the Optimal Superposition and Eckart Frame Problems
J.Cioslowski Journal of Chemical Physics 145 (2016) 054116 Rovibrational States of Wigner Molecules in Spherically Symmetric Confining Potentials
J.Cioslowski and K.Strasburger Journal of Chemical Physics 146 (2017) 044308 Harmonium Atoms at Weak Confinements: The Formation of the Wigner Molecules