Jerzy Cioslowski, Ph.D. - Publications

Affiliations: 
Institute of Physics University of Szczecin, Poland 
Area:
theoretical chemistry
Website:
http://www.fiz.univ.szczecin.pl/index.php/pl/instytut/zfm/29.html

202 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Andrés J, Ayers PW, Boto RA, Carbó-Dorca R, Chermette H, Cioslowski J, Contreras-García J, Cooper DL, Frenking G, Gatti C, Heidar-Zadeh F, Joubert L, Martín Pendás Á, Matito E, Mayer I, et al. Nine questions on energy decomposition analysis. Journal of Computational Chemistry. PMID 31251411 DOI: 10.1002/jcc.26003  1
2018 Cioslowski J, Strasburger K. Five- and six-electron harmonium atoms: Highly accurate electronic properties and their application to benchmarking of approximate 1-matrix functionals. The Journal of Chemical Physics. 148: 144107. PMID 29655337 DOI: 10.1063/1.5021419  0.76
2017 Cioslowski J, Strasburger K. Harmonium atoms at weak confinements: The formation of the Wigner molecules. The Journal of Chemical Physics. 146: 044308. PMID 28147526 DOI: 10.1063/1.4974273  0.76
2015 Cioslowski J, Piris M, Matito E. Robust validation of approximate 1-matrix functionals with few-electron harmonium atoms. The Journal of Chemical Physics. 143: 214101. PMID 26646863 DOI: 10.1063/1.4936583  1
2015 Cioslowski J. The Coulomb, exchange, and correlation components of the electron-electron repulsion in harmonium atoms. The Journal of Chemical Physics. 142: 114105. PMID 25796229 DOI: 10.1063/1.4914021  1
2015 Cioslowski J. One-electron reduced density matrices of strongly correlated harmonium atoms. The Journal of Chemical Physics. 142: 114104. PMID 25796228 DOI: 10.1063/1.4914171  1
2015 Cioslowski J, Albin J. A charge granularity correction to electrostatic self-energies of planar charge distributions Molecular Physics. 1-7. DOI: 10.1080/00268976.2015.1114161  1
2015 Ayers PL, Boyd RJ, Bultinck P, Caffarel M, Carbó-Dorca R, Causá M, Cioslowski J, Contreras-Garcia J, Cooper DL, Coppens P, Gatti C, Grabowsky S, Lazzeretti P, Macchi P, Martín Pendás Á, et al. Six questions on topology in theoretical chemistry Computational and Theoretical Chemistry. 1053: 2-16. DOI: 10.1016/j.comptc.2014.09.028  1
2015 Cioslowski J. Partial-wave decomposition of the ground-state wavefunction of the two-electron harmonium atom Theoretical Chemistry Accounts. 134. DOI: 10.1007/s00214-015-1705-8  1
2014 Cioslowski J, Strasburger K, Matito E. Benchmark calculations on the lowest-energy singlet, triplet, and quintet states of the four-electron harmonium atom. The Journal of Chemical Physics. 141: 044128. PMID 25084902 DOI: 10.1063/1.4891301  1
2014 Pop R, Medeleanu M, Diudea MV, Szefler B, Cioslowski J. Fullerenes patched by flowers with octagonal core Central European Journal of Chemistry. 12: 90-97. DOI: 10.2478/s11532-013-0358-5  1
2014 Cioslowski J, Albin J. Electrostatic self-energies of discrete charge distributions on Jordan curves Journal of Mathematical Chemistry. DOI: 10.1007/s10910-014-0395-0  1
2014 Cioslowski J. Note on the asymptotic isomer count of large fullerenes Journal of Mathematical Chemistry. 52: 1-5. DOI: 10.1007/s10910-013-0263-3  1
2013 Cioslowski J. The weak-correlation limits of few-electron harmonium atoms. The Journal of Chemical Physics. 139: 224108. PMID 24329057 DOI: 10.1063/1.4837179  1
2013 Cioslowski J, Albin J. Asymptotic equivalence of the shell-model and local-density descriptions of Coulombic systems confined by radially symmetric potentials in two and three dimensions. The Journal of Chemical Physics. 139: 114109. PMID 24070281 DOI: 10.1063/1.4821217  1
2013 Cioslowski J, Albin J. Oscillatory and fluctuating terms in energies of assemblies of equicharged particles subject to spherically symmetric power-law confining potentials. The Journal of Chemical Physics. 139: 104306. PMID 24050343 DOI: 10.1063/1.4820246  1
2012 Cioslowski J, Strasburger K, Matito E. The three-electron harmonium atom: the lowest-energy doublet and quadruplet states. The Journal of Chemical Physics. 136: 194112. PMID 22612085 DOI: 10.1063/1.4717461  1
2012 Cioslowski J, Albin J. Shell models of two-dimensional Coulomb crystals: assessment and comparison with the three-dimensional case. The Journal of Chemical Physics. 136: 114306. PMID 22443763 DOI: 10.1063/1.3693517  1
2012 Cioslowski J. Robust interpolation between weak- and strong-correlation regimes of quantum systems. The Journal of Chemical Physics. 136: 044109. PMID 22299863 DOI: 10.1063/1.3679657  1
2012 Cioslowski J, Albin J. Electrostatic energy of polygonal charge distributions Journal of Mathematical Chemistry. 50: 1378-1385. DOI: 10.1007/s10910-012-9975-z  1
2011 Cioslowski J, Matito E. Benchmark Full Configuration Interaction Calculations on the Lowest-Energy (2)P and (4)P States of the Three-Electron Harmonium Atom. Journal of Chemical Theory and Computation. 7: 915-920. PMID 26606342 DOI: 10.1021/ct200053z  1
2011 Cioslowski J, Grzebielucha E. Shell model of assemblies of equicharged particles subject to radial confining potentials. The Journal of Chemical Physics. 134: 124305. PMID 21456660 DOI: 10.1063/1.3569128  1
2011 Cioslowski J, Matito E. Note: The weak-correlation limit of the three-electron harmonium atom. The Journal of Chemical Physics. 134: 116101. PMID 21428669 DOI: 10.1063/1.3553558  1
2011 Cioslowski J, Matito E. Benchmark full configuration interaction calculations on the lowest-energy 2P and 4P states of the three-electron harmonium atom Journal of Chemical Theory and Computation. 7: 915-920. DOI: 10.1021/ct200053z  1
2010 Cioslowski J. Shell structures of assemblies of equicharged particles subject to radial power-law confining potentials. The Journal of Chemical Physics. 133: 234902. PMID 21186886 DOI: 10.1063/1.3518980  1
2010 Matito E, Cioslowski J, Vyboishchikov SF. Properties of harmonium atoms from FCI calculations: Calibration and benchmarks for the ground state of the two-electron species. Physical Chemistry Chemical Physics : Pccp. 12: 6712-6. PMID 20424779 DOI: 10.1039/b926389f  1
2010 Cioslowski J, Grzebielucha E. Screening-controlled morphologies of Yukawa crystals. The Journal of Chemical Physics. 132: 024708. PMID 20095695 DOI: 10.1063/1.3291079  1
2010 Boche G, Lohrenz JCW, Cioslowski J, Koch W. Carbon acidity resulting from sulfur substituents The Chemistry of Sulphur-Containing Functional Groups. 339-362. DOI: 10.1002/9780470034408.ch7  1
2009 Cioslowski J. Modified Thomson problem. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 79: 046405. PMID 19518357 DOI: 10.1103/PhysRevE.79.046405  1
2009 Cioslowski J, Grzebielucha E. Zero-point vibrational energies of spherical Coulomb crystals. The Journal of Chemical Physics. 130: 094902. PMID 19275419 DOI: 10.1063/1.3077028  1
2008 Cioslowski J, Grzebielucha E. Parameter-free shell model of spherical Coulomb crystals. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 78: 026416. PMID 18850955 DOI: 10.1103/PhysRevE.78.026416  1
2008 Cioslowski J. Properties of Coulomb crystals: rigorous results. The Journal of Chemical Physics. 128: 164713. PMID 18447485 DOI: 10.1063/1.2905214  1
2008 Cioslowski J, Grzebielucha E. Strong-correlation limit of four electrons in an isotropic harmonic trap Physical Review a - Atomic, Molecular, and Optical Physics. 77. DOI: 10.1103/PhysRevA.77.032508  1
2008 Cioslowski J, Buchowiecki M. Coulomb crystals of few particles: Closed-form expressions for equilibrium energies and geometries, and vibrational force constants Chemical Physics Letters. 456: 146-149. DOI: 10.1016/j.cplett.2008.03.040  1
2007 Pernal K, Cioslowski J. Frequency-dependent response properties and excitation energies from one-electron density matrix functionals. Physical Chemistry Chemical Physics : Pccp. 9: 5956-65. PMID 18004407 DOI: 10.1039/b704797e  1
2007 Cioslowski J, Matito E, Solà M. Properties of aromaticity indices based on the one-electron density matrix. The Journal of Physical Chemistry. A. 111: 6521-5. PMID 17583327 DOI: 10.1021/jp0716132  1
2007 Xie JRH, Zhao J, Sun G, Cioslowski J. Fluorination approach to achieving tunable-optical-gap and large-optical-gap nanomaterials from carbon-caged nanoparticles Journal of Computational and Theoretical Nanoscience. 4: 142-146. DOI: 10.1166/jctn.2007.014  1
2007 Cioslowski J, Ziesche P. Ring-diagram summations and the self-energy of the homogeneous electron gas at its weak-correlation limit Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.085103  1
2006 Cioslowski J, Pernal K. Wigner molecules: the strong-correlation limit of the three-electron harmonium. The Journal of Chemical Physics. 125: 64106. PMID 16942272 DOI: 10.1063/1.2222361  1
2006 Cioslowski J, Buchowiecki M. Wigner molecules: natural orbitals of strongly correlated two-electron harmonium. The Journal of Chemical Physics. 125: 64105. PMID 16942271 DOI: 10.1063/1.2222360  1
2006 Cioslowski J, Pernal K. Unoccupied natural orbitals in two-electron Coulombic systems Chemical Physics Letters. 430: 188-190. DOI: 10.1016/j.cplett.2006.08.111  1
2005 Cioslowski J, Buchowiecki M. Simple approximants for natural orbitals of harmonium. The Journal of Chemical Physics. 123: 234102. PMID 16392909 DOI: 10.1063/1.2137322  1
2005 Cioslowski J. New constraints upon the electron-electron repulsion energy functional of the one-electron reduced density matrix. The Journal of Chemical Physics. 123: 164106. PMID 16268680 DOI: 10.1063/1.2074527  1
2005 Cioslowski J, Buchowiecki M. Collective natural orbital occupancies of harmonium. The Journal of Chemical Physics. 122: 84102. PMID 15836015 DOI: 10.1063/1.1846655  1
2005 Cioslowski J, Ziesche P. Applicability of the ladder theory to the three-dimensional homogeneous electron gas Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/PhysRevB.71.125105  1
2005 Cioslowski J, Pernal K. Local-density-matrix approximation: Exact asymptotic results for a high-density homogeneous electron gas Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/PhysRevB.71.113103  1
2005 Ziesche P, Cioslowski J. 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 Physica a: Statistical Mechanics and Its Applications. 356: 598-608. DOI: 10.1016/j.physa.2005.04.006  1
2005 Cioslowski J, Moncrieff D. A benchmark electronic structure study of the Wellington elimination Chemical Physics Letters. 416: 113-115. DOI: 10.1016/j.cplett.2005.09.045  1
2005 Pernal K, Cioslowski J. Ionization potentials from the extended Koopmans' theorem applied to density matrix functional theory Chemical Physics Letters. 412: 71-75. DOI: 10.1016/j.cplett.2005.06.103  1
2004 Cioslowski J, Pernal K. Size versus volume extensivity of a new class of density matrix functionals. The Journal of Chemical Physics. 120: 10364-7. PMID 15268063 DOI: 10.1063/1.1738411  1
2004 Pernal K, Cioslowski J. Phase dilemma in density matrix functional theory. The Journal of Chemical Physics. 120: 5987-92. PMID 15267479 DOI: 10.1063/1.1651059  1
2004 Pernal K, Cioslowski J. Behavior of the APSG electronic wavefunction near the electron-electron coalescence point Annalen Der Physik (Leipzig). 13: 194-200. DOI: 10.1002/andp.200310072  1
2003 Cioslowski J, Buchowiecki M, Ziesche P. Density matrix functional theory of four-electron systems Journal of Chemical Physics. 119: 11570-11573. DOI: 10.1063/1.1623741  1
2003 Cioslowski J, Pernal K, Buchowiecki M. Approximate one-matrix functionals for the electron-electron repulsion energy from geminal theories Journal of Chemical Physics. 119: 6443-6447. DOI: 10.1063/1.1604375  1
2003 Cioslowski J, Rao N, Pernal K, Moncrieff D. Endohedral motions inside capped single-walled carbon nanotubes Journal of Chemical Physics. 118: 4456-4462. DOI: 10.1063/1.1544733  1
2003 Taut M, Pernal K, Cioslowski J, Staemmler V. Three electrons in a harmonic oscillator potential: Pairs versus single particles Journal of Chemical Physics. 118: 4861-4871. DOI: 10.1063/1.1542874  1
2003 Mandado M, Vila A, Graña AM, Mosquera RA, Cioslowski J. Transferability of energies of atoms in organic molecules Chemical Physics Letters. 371: 739-743. DOI: 10.1016/S0009-2614(03)00357-9  1
2003 Cioslowski J, Dobrowolski JC. Structural dependence of thermodynamic stability of unbranched catacondensed benzenoid hydrocarbons Chemical Physics Letters. 371: 317-320. DOI: 10.1016/S0009-2614(03)00276-8  1
2003 Cioslowski J, Szarecka A, Moncrieff D. Energetics, electronic structures and geometries of naphthalene, quinoline and isoquinoline analogues of 1,2-didehydrobenzene Molecular Physics. 101: 1221-1225.  1
2003 Cioslowski J, Szarecka A, Moncrieff D. Energetics, electronic structures and geometries of didehydroazines Molecular Physics. 101: 839-858.  1
2002 Cioslowski J, Rao N, Moncrieff D. Electronic structures and energetics of [5,5] and [9,0] single-walled carbon nanotubes. Journal of the American Chemical Society. 124: 8485-9. PMID 12105930 DOI: 10.1021/ja0126879  1
2002 Cioslowski J, Szarecka A, Moncrieff D. Conformations and thermodynamic properties of sulphur homocycles. II: The fluxional S8 + radical cation Molecular Physics. 100: 1559-1566. DOI: 10.1080/00268970110117971  1
2002 Cioslowski J, Pernal K, Ziesche P. Systematic construction of approximate one-matrix functionals for the electron-electron repulsion energy Journal of Chemical Physics. 117: 9560-9566. DOI: 10.1063/1.1516804  1
2002 Cioslowski J, Pernal K. Variational density matrix functional theory calculations with the lowest-order Yasuda functional Journal of Chemical Physics. 117: 67-71. DOI: 10.1063/1.1481384  1
2002 Cioslowski J, Pernal K. Density matrix functional theory of weak intermolecular interactions Journal of Chemical Physics. 116: 4802-4807. DOI: 10.1063/1.1446028  1
2002 Cioslowski J, Szarecka A, Moncrieff D. Conformations of the S5 +and S6 + homocyclic radical cations International Journal of Quantum Chemistry. 90: 1049-1054. DOI: 10.1002/qua.10330  1
2001 Cioslowski J, Rao N, Szarecka A, Pernal K. Theoretical thermochemistry of the C60F18, C60F36, and C60F48 fluorofullerenes Molecular Physics. 99: 1229-1232. DOI: 10.1080/00268970110047915  1
2001 Cioslowski J, Ziesche P, Pernal K. Description of a high-density homogeneous electron gas with the Yasuda density matrix functional Journal of Chemical Physics. 115: 8725-8730. DOI: 10.1063/1.1412604  1
2001 Cioslowski J, Pernal K. Response properties and stability conditions in density matrix functional theory Journal of Chemical Physics. 115: 5784-5790. DOI: 10.1063/1.1383292  1
2001 Pernal K, Cioslowski J. On the validity of the extended Koopmans' theorem Journal of Chemical Physics. 114: 4359-4361. DOI: 10.1063/1.1336543  1
2001 Chen Z, Cioslowski J, Rao N, Moncrieff D, Bühl M, Hirsch A, Thiel W. Endohedral chemical shifts in higher fullerenes with 72-86 carbon atoms Theoretical Chemistry Accounts. 106: 364-368. DOI: 10.1007/s002140100283  1
2001 Cioslowski J, Szarecka A. First-principles conformational analysis of the C36H36 spheriphane, a prototype hydrocarbon host cage Journal of Computational Chemistry. 22: 1279-1286. DOI: 10.1002/jcc.1085  1
2001 Cioslowski J, Ziesche P, Pernal K. On the exactness of simple natural spin-orbital functionals for a high-density homogeneous electron gas Physical Review B - Condensed Matter and Materials Physics. 63: 2051051-2051058.  1
2001 Cioslowski J, Szarecka A, Moncrieff D. Conformations and thermodynamic properties of sulfur homocycles. 1. The S5, S6, S7, and S8 molecules Journal of Physical Chemistry A. 105: 501-505.  1
2000 Cioslowski J, Rao N, Moncrieff D. Standard enthalpies of formation of fullerenes and their dependence on structural motifs Journal of the American Chemical Society. 122: 8265-8270. DOI: 10.1021/ja001109+  1
2000 Cioslowski J, Liu G, Mosquera Castro RA. Badger's rule revisited Chemical Physics Letters. 331: 497-501.  1
2000 Cioslowski J, Schimeczek M, Liu G, Stoyanov V. A set of standard enthalpies of formation for benchmarking, calibration, and parametrization of electronic structure methods Journal of Chemical Physics. 113: 9377-9389.  1
2000 Cioslowski J, Pernal K. The ground state of harmonium Journal of Chemical Physics. 113: 8433-8443.  1
2000 Cioslowski J, Liu G, Rychlewski J, Cencek W, Komasa J. Topology of electron correlation in the b 3Σ+ u state of the H2 molecule Chemical Physics Letters. 319: 542-546.  1
2000 Cioslowski J, Pernal K. Description of a homogeneous electron gas with simple functionals of the one-particle density matrix Physical Review a - Atomic, Molecular, and Optical Physics. 61: 345031-345033.  1
2000 Cioslowski J, Liu G, Moncrieff D. The concerted trimerization of ethyne to benzene revisited Chemical Physics Letters. 316: 536-540.  1
1999 Cioslowski J, Schimeczek M, Piskorz P, Moncrieff D. Thermal rearrangement of ethynylarenes to cyclopentafused polycyclic aromatic hydrocarbons: An electronic structure study Journal of the American Chemical Society. 121: 3773-3778. DOI: 10.1021/ja9836601  1
1999 Cioslowski J. Theoretical treatise on molecular structure and geometry Theoretical and Computational Chemistry. 6: 1-20. DOI: 10.1016/S1380-7323(99)80003-X  1
1999 Cioslowski J, Liu G, Moncrieff D. Theoretical thermochemistry of the 1-buten-3-yn-1-yl radical and its chloro derivatives Journal of Physical Chemistry A. 103: 11465-11468.  1
1999 Cioslowski J, Varnali T. Systematic analysis of substituent effects. II. Charges and energies of atoms in fluorochloroethanes International Journal of Quantum Chemistry. 72: 331-339.  1
1999 Cioslowski J, Pernal K. Constraints upon natural spin orbital functionals imposed by properties of a homogeneous electron gas Journal of Chemical Physics. 111: 3396-3400.  1
1999 Cioslowski J, Liu G, Rychlewski J, Cencek W, Komasa J. Topology of electron-electron interactions in atoms and molecules. III. Morphology of electron intracule density in two 1Σg + states of the hydrogen molecule Journal of Chemical Physics. 111: 3401-3409.  1
1999 Cioslowski J, Lopez-Boada R. The electron-electron repulsion energy as a functional of the Hartree-Fock one-electron density matrix Chemical Physics Letters. 307: 445-452.  1
1999 Cioslowski J, Liu G. Topology of electron-electron interactions in atoms and molecules. II. the correlation cage Journal of Chemical Physics. 110: 1882-1887.  1
1998 Cioslowski J, Liu G. Electron intracule densities and Coulomb holes from energy-derivative two-electron reduced density matrices Journal of Chemical Physics. 109: 8225-8231. DOI: 10.1063/1.477484  1
1998 Cioslowski J, Lopez-Boada R. Approximate one-electron density matrix functionals for the electron-electron repulsion energy from the hypervirial theorem Journal of Chemical Physics. 109: 4156-4163. DOI: 10.1063/1.477021  1
1998 Cioslowski J, Lopez-Boada R. Properties of electron density and other one-electron observables derived from generalized Hiller-Sucher-Feinberg identities Journal of Chemical Physics. 109: 1230-1237. DOI: 10.1063/1.476674  1
1998 Cioslowski J, Piskorz P, Moncrieff D. Electronic structure studies of 1,2-didehydrogenation of arenes and rearrangement of arynes to annelated cyclopentadienylidenecarbenes Journal of the American Chemical Society. 120: 1695-1700. DOI: 10.1021/ja9725662  1
1998 Cioslowski J, Piskorz P, Schimeczek M, Boche G. Diversity of bonding in methyl ate anions of the first- and second-row elements Journal of the American Chemical Society. 120: 2612-2615. DOI: 10.1021/ja972564h  1
1998 Cioslowski J, Liu G, Moncrieff D. Theoretical thermochemistry of homolytic C-C and C-Cl bond dissociations in unbranched perchloroalkanes Journal of Physical Chemistry A. 102: 9965-9969.  1
1998 Cioslowski J, Liu G, Piskorz P. Computationally inexpensive theoretical thermochemistry Journal of Physical Chemistry A. 102: 9890-9900.  1
1998 Boche G, Schimeczek M, Cioslowski J, Piskorz P. The role of ate complexes in halogen(metalloid)-metal exchange reactions: A theoretical study European Journal of Organic Chemistry. 1851-1860.  1
1998 Cioslowski J, Piskorz P, Moncrieff D. Thermally Induced Cyclodehydrogenation of Biaryls: A Simple Radical Reaction or a Sequence of Rearrangements? Journal of Organic Chemistry. 63: 4051-4054.  1
1998 Cioslowski J, Liashenko A. Atomic orbitals in molecules Journal of Chemical Physics. 108: 4405-4412.  1
1997 Cioslowski J, Liu G, Moncrieff D. Thermochemistry of homolytic C-C, C-H, and C-Cl bond dissociations in polychloroethanes: Benchmark electronic structure calculations Journal of the American Chemical Society. 119: 11452-11457. DOI: 10.1021/ja971108q  1
1997 Cioslowski J, Gao X. Transannular interactions in S8 2+ and Se8 2+: Reality or artifact? International Journal of Quantum Chemistry. 65: 609-616.  1
1997 Cioslowski J, Boche G. Geometry-Tunable Lewis Acidity of Amidinium Cations and Its Relevance to Redox Reactions of the Thauer Metal-Free Hydrogenase: A Theoretical Study Angewandte Chemie (International Edition in English). 36: 107-109.  1
1997 Cioslowski J, Piskorz P, Liu G. Lonization potentials and electron affinities from the extended Koopmans' theorem applied to energy-derivative density matrices: The EKTMPn and EKTQCISD methods Journal of Chemical Physics. 107: 6804-6811.  1
1997 Cioslowski J, Liu G. Electrostatic interaction energies from a generalized Gaussian quadrature Chemical Physics Letters. 277: 299-305.  1
1997 Cioslowski J, Scott AP, Radom L. Catastrophes, bifurcations and hysteretic loops in torsional potentials of internal rotations in molecules Molecular Physics. 91: 413-420.  1
1997 Cioslowski J, Piskorz P, Rez P. Accurate analytical representations of the core-electron densities of the elements 3 through 118 Journal of Chemical Physics. 106: 3607-3612.  1
1997 Cioslowski J, Liu G, Moncrieff D. Energetics of the homolytic C-H and C-Cl bond cleavages in polychlorobenzenes: The role of electronic and steric effects Journal of Physical Chemistry A. 101: 957-960.  1
1996 Cioslowski J, Stefanov BB, Constans P. Efficient algorithm for quantitative assessment of similarities among atoms in molecules. Journal of Computational Chemistry. 17: 1352-8. PMID 25400154 DOI: 10.1002/(SICI)1096-987X(199608)17:11<1352::AID-JCC8>3.0.CO;2-L  1
1996 Cioslowski J, Liu G, Moncrieff D. Nonclassical Aryl Radicals: Intermediates or Transition States for the Hydrogen Shift Reactions? The Journal of Organic Chemistry. 61: 4111-4114. PMID 11667290  1
1996 Cioslowski J, Liu G, Martinov M, Piskorz P, Moncrieff D. Energetics and site specificity of the homolytic C-H bond cleavage in benzenoid hydrocarbons: An ab initio electronic structure study Journal of the American Chemical Society. 118: 5261-5264. DOI: 10.1021/ja9600439  1
1996 Cioslowski J, Varnali T. Systematic analysis of substituent effects: 1. Geminal and vicinal interactions in fluorochloroethanes Journal of Physical Chemistry. 100: 18725-18730.  1
1996 Cioslowski J, Liu G. Fast evaluation of electron intracule and extracule densities on large grids of points Journal of Chemical Physics. 105: 4151-4158.  1
1996 Stefanov BB, Cioslowski J. Variability of shapes and properties of atoms in molecules: A case study of the carbonyl oxygen Canadian Journal of Chemistry. 74: 1263-1270.  1
1996 Cioslowski J, Martinov M, Florida. Electronegativity equalization in polyyne carbon chains Journal of Physical Chemistry. 100: 6156-6160.  1
1996 Cioslowski J, Stefanov BB. Analytical derivatives of atomic zero-flux surfaces and properties of atoms in molecules with respect to external perturbations Journal of Chemical Physics. 105: 8741-8747.  1
1996 Cioslowski J, Liu G. Topology of electron-electron interactions in atoms and molecules. I. The Hartree-Fock approximation Journal of Chemical Physics. 105: 8187-8194.  1
1996 Cioslowski J, Piskorz P, Liu G, Moncrieff D. Regularities in energies and geometries of biaryls: An ab initio electronic structure study The Journal of Physical Chemistry®. 100: 19333-19335.  1
1996 Cioslowski J, Stefanov BB. Symmetry handling in calculations of properties of atoms in molecules Chemical Physics Letters. 256: 449-453.  1
1996 Cioslowski J. Theory of response properties of atoms in molecules Molecular Physics. 88: 621-629.  1
1996 Cioslowski J, Piskorz P. Properties of atoms in molecules from valence-electron densities augmented with core-electron contributions Chemical Physics Letters. 255: 315-319.  1
1996 Cioslowski J, Patchkovskii S, Thiel W. Electronic structures, geometries, and energetics of highly charged cations of the C60 fullerene Chemical Physics Letters. 248: 116-120.  1
1995 Martinov M, Cioslowski J. A rigorous energy partitioning scheme for analysis of molecular interactions Molecular Physics. 85: 121-129. DOI: 10.1080/00268979500100981  1
1995 Cioslowski J, Stefanov BB. Variational determination of the zero-flux surfaces of atoms in molecules Molecular Physics. 84: 707-716. DOI: 10.1080/00268979500100481  1
1995 Cioslowski J, Stefanov BB, Tan A, Umrigar CJ. Electron intracule densities with correct electron coalescence cusps from Hiller-Sucher-Feinberg-type identities The Journal of Chemical Physics. 103: 6093-6103.  1
1995 Cioslowski J, Martinov M. Spin-resolved analysis of electronegativity equalization and electron flow in molecules The Journal of Chemical Physics. 102: 7499-7503.  1
1995 Cioslowski J, Martinov M. Effects of solvation on chemical bonding: An electron-flow analysis The Journal of Chemical Physics. 103: 4967-4974.  1
1995 Cioslowski J, Edgington L, Stefanov BB. Steric overcrowding in perhalogenated cyclohexanes, dodecahedranes, and [60]fulleranes Journal of the American Chemical Society. 117: 10381-10384.  1
1995 Cioslowski J, Lin Q. Guest discrimination in complexes of alkali metal cations with the C36H36 spheriphane: An ab initio electronic structure study Journal of the American Chemical Society. 117: 2553-2556.  1
1994 Luo W, Wang H, Ruoff RS, Cioslowski J, Phelps S. Susceptibility discontinuity in single crystal C60. Physical Review Letters. 73: 186-188. PMID 10056751 DOI: 10.1103/PhysRevLett.73.186  1
1994 Nanayakkara A, Cioslowski J. RhoScope: a highly portable computer program for visualization of the zero-flux atomic surfaces. Journal of Molecular Graphics. 12: 38-40, 35. PMID 8011600 DOI: 10.1016/0263-7855(94)80007-3  1
1994 Challacombe M, Cioslowski J. Accurate electron densities from the hiller-sucher-feinberg identity applied to constrained wavefunctions Molecular Physics. 83: 171-181. DOI: 10.1080/00268979400101161  1
1994 Cioslowski J, Nanayakkara A. A new robust algorithm for fully automated determination of attractor interaction lines in molecules Chemical Physics Letters. 219: 151-154. DOI: 10.1016/S0009-2614(94)87001-2  1
1994 Cioslowski J. Ab initio electronic structure calculations on highly charged cations of the C60 cluster International Journal of Mass Spectrometry and Ion Processes. 138: 107-111. DOI: 10.1016/0168-1176(94)04035-4  1
1994 Cioslowski J. Endohedral magnetic shielding in fullerenes. A GIAO CPHF study Chemical Physics Letters. 227: 361-364. DOI: 10.1016/0009-2614(94)00844-2  1
1994 Cioslowski J, Challacombe M. Nuclear cusps in the HSF electron density Chemical Physics Letters. 224: 175-178. DOI: 10.1016/0009-2614(94)00535-4  1
1994 Challacombe M, Cioslowski J. A basis set convergence study of conventional and HSF electron densities in the Li2 molecule Chemical Physics Letters. 224: 179-185. DOI: 10.1016/0009-2614(94)00534-6  1
1994 Cioslowski J, Martinov M. The atomic softness matrix The Journal of Chemical Physics. 101: 366-370.  1
1994 Challacombe M, Cioslowski J. Efficient implementation of the Hiller-Sucher-Feinberg identity for the accurate determination of the electron density The Journal of Chemical Physics. 100: 464-472.  1
1994 Cioslowski J. Endohedral magnetic shielding in the C60 cluster Journal of the American Chemical Society. 116: 3619-3620.  1
1993 Cioslowski J. Heats of formation of higher fullerenes from ab initio Hartree-Fock and correlation energy functional calculations Chemical Physics Letters. 216: 389-393. DOI: 10.1016/0009-2614(93)90114-G  1
1993 Cioslowski J, Nanayakkara A, Challacombe M. Rapid evaluation of atomic properties with mixed analytical/numerical integration Chemical Physics Letters. 203: 137-142. DOI: 10.1016/0009-2614(93)85377-Z  1
1993 Cioslowski J, Mixon sT. Exact topological π-electron Hamiltonians from ab initio wavefunctions? Journal of Mathematical Chemistry. 12: 29-36. DOI: 10.1007/BF01164623  1
1993 Cioslowski J, Mixon ST. Rigorous interpretation of electronic wave functions. 2. Electronic structures of selected phosphorus, sulfur, and chlorine fluorides and oxides Inorganic Chemistry. 32: 3209-3216.  1
1993 Cioslowski J, Raghavachari K. Electrostatic potential, polarization, shielding, and charge transfer in endohedral complexes of the C60, C70, C76, C78, C82, and C84 clusters The Journal of Chemical Physics. 98: 8734-8741.  1
1993 Cioslowski J, Wedge EJ. Bulk properties from finite cluster calculations. VIII. Benchmark calculations of the efficiency of extrapolation methods for the HF and MP2 energies of polyacenes Journal of Computational Chemistry. 14: 1468-1481.  1
1993 Cioslowski J. Rigorous interpretation of electronic wave functions. 3. Theoretical confirmation of a three-center, two-electron C-H-C bond in the m-bicyclo[4.4.4]tetradecyl cation Journal of the American Chemical Society. 115: 5177-5179.  1
1993 Cioslowski J, Nanayakkara A. Similarity of atoms in molecules Journal of the American Chemical Society. 115: 11213-11215.  1
1993 Cioslowski J, Mixon ST. Electronegativities in situ, bond hardnesses, and charge-transfer components of bond energies from the topological theory of atoms in molecules Journal of the American Chemical Society. 115: 1084-1088.  1
1993 Cioslowski J. Bulk properties from finite-cluster calculations. VII. Accurate ab initio calculations on the Peierls distortions in polyacene The Journal of Chemical Physics. 98: 473-477.  1
1993 Cioslowski J, Martinov M, Mixon ST. Atomic Fukui indices from the topological theory of atoms in molecules applied to Hartree-Fock and correlated electron densities Journal of Physical Chemistry. 97: 10948-10951.  1
1993 Cioslowski J, Stefanov BB. Electron flow and electronegativity equalization in the process of bond formation The Journal of Chemical Physics. 99: 5151-5162.  1
1993 Cioslowski J, Nanayakkara A. Electron correlation contributions to one-electron properties from functionals of the Hartree-Fock electron density The Journal of Chemical Physics. 99: 5163-5166.  1
1993 Cioslowski J, Sauer J, Hetzenegger J, Karcher T, Hierstetter T. Ab initio quantum-mechanical and experimental mechanistic studies of Diels-Alder reactions between unsubstituted and phenyl-substituted acetylenes and 1,2,4,5-tetrazines Journal of the American Chemical Society. 115: 1353-1359.  1
1992 Cioslowski J, Nanayakkara A. Endohedral fullerites: A new class of ferroelectric materials. Physical Review Letters. 69: 2871-2873. PMID 10046610 DOI: 10.1103/PhysRevLett.69.2871  1
1992 Cioslowski J, Surján PR. An observable-based interpretation of electronic wavefunctions: application to "hypervalent" molecules Journal of Molecular Structure: Theochem. 255: 9-33. DOI: 10.1016/0166-1280(92)85003-4  1
1992 Cioslowski J, Watts JD. Accuracy of the first-order density matrices calculated with approximate coupled-cluster methods including connected triple excitations Chemical Physics Letters. 193: 580-586. DOI: 10.1016/0009-2614(92)85851-Z  1
1992 Cioslowski J. An efficient evaluation of atomic properties using a vectorized numerical integration with dynamic thresholding Chemical Physics Letters. 194: 73-78. DOI: 10.1016/0009-2614(92)85745-V  1
1992 Cioslowski J, Challacombe M. The Hiller-Sucher-Feinberg density is not integrable Theoretica Chimica Acta. 83: 185-190. DOI: 10.1007/BF01132827  1
1992 Cioslowski J. Differential density matrix overlap: an index for assessment of electron correlation in atoms and molecules Theoretica Chimica Acta. 81: 319-327. DOI: 10.1007/BF01118571  1
1992 Cioslowski J, Nanayakkara A. Endohedral effect in inclusion complexes of the C60 cluster The Journal of Chemical Physics. 96: 8354-8362.  1
1992 Cioslowski J, Mixon ST. Topological properties of electron density in search of steric interactions in molecules: Electronic structure calculations on ortho-substituted biphenyls Journal of the American Chemical Society. 114: 4382-4387.  1
1992 Cioslowski J, McKee ML. Rigorous interpretation of electronic wave functions. 1. Electronic structures of BH3, B2H6, B3H7, and B3H9 Journal of Physical Chemistry. 96: 9264-9268.  1
1992 Wiberg KB, Hadad CM, Rablen PR, Cioslowski J. Substituent effects. 4. Nature of substituent effects at carbonyl groups Journal of the American Chemical Society. 114: 8644-8654.  1
1992 Cioslowski J, Ortiz JV. One-electron density matrices and energy gradients in second-order electron propagator theory The Journal of Chemical Physics. 96: 8379-8389.  1
1991 Cioslowski J. Density-driven self-consistent-field method: Density-constrained correlation energies in the helium series. Physical Review. A. 43: 1223-1228. PMID 9905148 DOI: 10.1103/PhysRevA.43.1223  1
1991 Ortiz JV, Cioslowski J. Molecular similarity indices in electron propagator theory Chemical Physics Letters. 185: 270-275. DOI: 10.1016/S0009-2614(91)85059-6  1
1991 Cioslowski J. Electronic structures of the icosahedral C60H60 and C60F60 molecules Chemical Physics Letters. 181: 68-72. DOI: 10.1016/0009-2614(91)90223-V  1
1991 Cioslowski J. A conjecture on benzenoid graphs Journal of Mathematical Chemistry. 6: 111. DOI: 10.1007/BF01192577  1
1991 Cioslowski J. Partitioning of the orbital overlap matrix and the localization criteria Journal of Mathematical Chemistry. 8: 169-178. DOI: 10.1007/BF01166933  1
1991 Cioslowski J, Lepetit MB. Bulk properties from finite-cluster calculations. VI. A finite-size perturbation theory for the Hartree-Fock energy of linear oligomers The Journal of Chemical Physics. 95: 3536-3548.  1
1991 Cioslowski J, Mixon ST, Fleischmann ED. Electronic structures of trifluoro-, tricyano-, and trinitromethane and their conjugate bases Journal of the American Chemical Society. 113: 4751-4755.  1
1991 Cioslowski J, Mixon ST. Covalent Bond Orders in the Topological Theory of Atoms in Molecules Journal of the American Chemical Society. 113: 4142-4145.  1
1991 Challacombe M, Cioslowski J. Coordinate transformations of cubic force constants and transferability of anharmonic force constants in internal coordinates The Journal of Chemical Physics. 95: 1064-1068.  1
1991 Cioslowski J, Fleischmann ED. Endohedral complexes: Atoms and ions inside the C60 cage The Journal of Chemical Physics. 94: 3730-3734.  1
1991 Cioslowski J. Endohedral Chemistry: Electronic Structures of Molecules Trapped Inside the C60 Cage Journal of the American Chemical Society. 113: 4139-4141.  1
1991 Cioslowski J, Mixon ST, Edwards WD. Weak bonds in the topological theory of atoms in molecules Journal of the American Chemical Society. 113: 1083-1085.  1
1991 Cioslowski J, O'Connor PB, Fleischmann ED. Is superbenzene superaromatic? Journal of the American Chemical Society. 113: 1086-1089.  1
1991 Cioslowski J, Fleischmann ED. Assessing molecular similarity from results of ab initio electronic structure calculations Journal of the American Chemical Society. 113: 64-67.  1
1990 Cioslowski J. Density-driven self-consistent-field method: Density functionals for electron correlation energy. Physical Review. A. 41: 3458-3459. PMID 9903514 DOI: 10.1103/PhysRevA.41.3458  1
1990 Cioslowski J, Hay PJ. Electronic structure of borabenzene and its adducts with carbon monoxide and nitrogen Journal of the American Chemical Society. 112: 1707-1710. DOI: 10.1021/ja00161a009  1
1990 Cioslowski J. Density Functional Reformulation of Molecular Orbital Theories Advances in Quantum Chemistry. 21: 303-316. DOI: 10.1016/S0065-3276(08)60602-4  1
1990 Cioslowski J, Mixon ST. Unusual bonding in the 1,1,1-triamino-2,2,2-tricyanoethane molecule Chemical Physics Letters. 170: 297-300. DOI: 10.1016/0009-2614(90)87131-A  1
1990 Fleischmann ED, Cioslowski J. Molecular orbital calculations on the peroxydimethoxyl dianion, an intermediate of the blank-finkenbeiner reaction Chemical Physics Letters. 168: 265-268. DOI: 10.1016/0009-2614(90)85608-F  1
1990 Cioslowski J. Bulk properties from finite-cluster calculations - IV. Linear chains of hydrogen fluoride [1] Theoretica Chimica Acta. 77: 253-261. DOI: 10.1007/BF01116549  1
1990 Cioslowski J. Two isomers of the Li2C2O2 molecule: An ab initio study Journal of the American Chemical Society. 112: 6536-6538.  1
1990 Cioslowski J, Hay PJ, Ritchie JP. Charge distributions and effective atomic charges in transition-metal complexes using generalized atomic polar tensors and topological analysis Journal of Physical Chemistry. 94: 148-151.  1
1990 Cioslowski J. Bulk properties from finite-cluster calculations. V. Pseudo-Wannier orbitale from molecular orbital calculations on finite clusters The Journal of Chemical Physics. 92: 1236-1239.  1
1990 Cioslowski J, Hamilton T, Scuseria G, Andes Hess B, Hu J, Schaad LJ, Dupuis M. Application of the GAPT population analysis to some organic molecules and transition structures Journal of the American Chemical Society. 112: 4183-4186.  1
1990 Cioslowski J. Nonnuclear attractors in the Li2 molecule Journal of Physical Chemistry. 94: 5496-5498.  1
1989 Cioslowski J. General and unique partitioning of molecular electronic properties into atomic contributions. Physical Review Letters. 62: 1469-1471. PMID 10039682 DOI: 10.1103/PhysRevLett.62.1469  1
1989 Cioslowski J, Levy M. Comment on "Density-matrix formulation of ab initio methods of nonrelativistic quantum mechanics" Physical Review. A. 40: 6727. PMID 9902073  1
1989 Cioslowski J. Calculation of the atomic electron density at the nucleus using the Baker-Gammel approximants. Physical Review. A. 39: 378-379. PMID 9901024 DOI: 10.1103/PhysRevA.39.378  1
1989 Cioslowski J, Levy M. Comment on Density-matrix formulation of ab initio methods of nonrelativistic quantum mechanics Physical Review A. 40: 6727. DOI: 10.1103/PhysRevA.40.6727  1
1989 Cioslowski J. Principles of AB initio SCF calculations with minimal storage requirements Computer Physics Communications. 53: 117-122. DOI: 10.1016/0010-4655(89)90152-5  1
1989 Cioslowski J. Molecular geometries from spin Hamiltonian calculations through simultaneous optimization of geometry and wave function Theoretica Chimica Acta. 75: 271-278. DOI: 10.1007/BF00533193  1
1989 Cioslowski J. Series analysis methods in enumeration of chemical isomers Theoretica Chimica Acta. 76: 47-51. DOI: 10.1007/BF00526338  1
1989 Cioslowski J, Kertesz M. Chemisorption on metals: The method of moments point of view Journal of Physical Chemistry. 93: 3237-3240.  1
1989 Cioslowski J. A new population analysis based on atomic polar tensors Journal of the American Chemical Society®. 111: 8333-8336.  1
1988 Cioslowski J. On extracting the bulk properties from results of small cluster calculations Chemical Physics Letters. 153: 446-450. DOI: 10.1016/0009-2614(88)85241-2  1
1988 Cioslowski J. Note on the relation between total electronic energy and the sum of orbital energies The Journal of Chemical Physics. 88: 2089-2090.  1
1988 Cioslowski J. Density driven self-consistent field method. I. Derivation and basic properties The Journal of Chemical Physics. 89: 4871-4874.  1
1988 Cioslowski J. Why does the Aitken extrapolation often help to attain convergence in self-consistent field calculations? The Journal of Chemical Physics. 89: 2126-2127.  1
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