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Results: 1-25/26
Authors:
Chen, ZF
Cioslowski, J
Rao, N
Moncrieff, D
Buhl, M
Hirsch, A
Thiel, W
Citation: Zf. Chen et al., Endohedral chemical shifts in higher fullerenes with 72-86 carbon atoms, THEOR CH AC, 106(5), 2001, pp. 364-368
Authors:
Cioslowski, J
Szarecka, A
Moncrieff, D
Citation: J. Cioslowski et al., Conformations and thermodynamic properties of sulfur homocycles. 1. The S-5, S-6, S-7, and S-8 molecules, J PHYS CH A, 105(2), 2001, pp. 501-505
Authors:
Cioslowski, J
Szarecka, A
Citation: J. Cioslowski et A. Szarecka, First-principles conformational analysis of the C36H36 spheriphane, a prototype hydrocarbon host cage, J COMPUT CH, 22(12), 2001, pp. 1279-1286
Authors:
Cioslowski, J
Ziesche, P
Pernal, K
Citation: J. Cioslowski et al., On the exactness of simple natural spin-orbital functionals for a high-density homogeneous electron gas - art. no. 205105, PHYS REV B, 6320(20), 2001, pp. 5105
Authors:
Cioslowski, J
Rao, N
Szarecka, A
Pernal, K
Citation: J. Cioslowski et al., Theoretical thermochemistry of the C60F18, C60F36, and C60F48 fluorofullerenes, MOLEC PHYS, 99(14), 2001, pp. 1229-1232
Authors:
Cioslowski, J
Ziesche, P
Pernal, K
Citation: J. Cioslowski et al., Description of a high-density homogeneous electron gas with the Yasuda density matrix functional, J CHEM PHYS, 115(19), 2001, pp. 8725-8730
Authors:
Cioslowski, J
Pernal, K
Citation: J. Cioslowski et K. Pernal, Response properties and stability conditions in density matrix functional theory, J CHEM PHYS, 115(13), 2001, pp. 5784-5790
Authors:
Pernal, K
Cioslowski, J
Citation: K. Pernal et J. Cioslowski, On the validity of the extended Koopmans' theorem, J CHEM PHYS, 114(10), 2001, pp. 4359-4361
Authors:
Cioslowski, J
Pernal, K
Citation: J. Cioslowski et K. Pernal, Description of a homogeneous electron gas with simple functionals of the one-particle density matrix - art. no. 034503, PHYS REV A, 6103(3), 2000, pp. 4503
Authors:
Cioslowski, J
Schimeczek, M
Liu, G
Stoyanov, V
Citation: J. Cioslowski et al., A set of standard enthalpies of formation for benchmarking, calibration, and parametrization of electronic structure methods, J CHEM PHYS, 113(21), 2000, pp. 9377-9389
Authors:
Cioslowski, J
Pernal, K
Citation: J. Cioslowski et K. Pernal, The ground state of harmonium, J CHEM PHYS, 113(19), 2000, pp. 8434-8443
Authors:
Cioslowski, J
Liu, GH
Castro, RAM
Citation: J. Cioslowski et al., Badger's rule revisited, CHEM P LETT, 331(5-6), 2000, pp. 497-501
Authors:
Cioslowski, J
Liu, GH
Rychlewski, J
Cencek, W
Komasa, J
Citation: J. Cioslowski et al., Topology of electron correlation in the b(3)Sigma(+)(u) state of the H-2 molecule, CHEM P LETT, 319(5-6), 2000, pp. 542-546
Authors:
Cioslowski, J
Liu, GH
Moncrieff, D
Citation: J. Cioslowski et al., The concerted trimerization of ethyne to benzene revisited, CHEM P LETT, 316(5-6), 2000, pp. 536-540
Authors:
Cioslowski, J
Rao, N
Moncrieff, D
Citation: J. Cioslowski et al., Standard enthalpies of formation of fullerenes and their dependence on structural motifs, J AM CHEM S, 122(34), 2000, pp. 8265-8270
Authors:
Cioslowski, J
Citation: J. Cioslowski, Topology of electron correlation, MAT COM CHE, 2000, pp. 249-265
Authors:
Cioslowski, J
Liu, GH
Moncrieff, D
Citation: J. Cioslowski et al., Theoretical thermochemistry of the 1-buten-3-yn-1-yl radical and its chloro derivatives, J PHYS CH A, 103(51), 1999, pp. 11465-11468
Constraints upon natural spin orbital functionals imposed by properties ofa homogeneous electron gas
Authors:
Cioslowski, J
Pernal, K
Citation: J. Cioslowski et K. Pernal, Constraints upon natural spin orbital functionals imposed by properties ofa homogeneous electron gas, J CHEM PHYS, 111(8), 1999, pp. 3396-3400
Authors:
Cioslowski, J
Liu, GH
Rychlewski, J
Cencek, W
Komasa, J
Citation: J. Cioslowski et al., Topology of electron-electron interactions in atoms and molecules. III. Morphology of electron intracule density in two (1)Sigma(+)(g) states of the hydrogen molecule, J CHEM PHYS, 111(8), 1999, pp. 3401-3409
Authors:
Cioslowski, J
Liu, GH
Citation: J. Cioslowski et Gh. Liu, Topology of electron-electron interactions in atoms and molecules. II. Thecorrelation cage, J CHEM PHYS, 110(4), 1999, pp. 1882-1887
Systematic analysis of substituent effects. II. Charges and energies of atoms in fluorochloroethanes
Authors:
Cioslowski, J
Varnali, T
Citation: J. Cioslowski et T. Varnali, Systematic analysis of substituent effects. II. Charges and energies of atoms in fluorochloroethanes, INT J QUANT, 72(4), 1999, pp. 331-339
Authors:
Cioslowski, J
Lopez-Boada, R
Citation: J. Cioslowski et R. Lopez-boada, The electron-electron repulsion energy as a functional of the Hartree-Fockone-electron density matrix, CHEM P LETT, 307(5-6), 1999, pp. 445-452
Authors:
Cioslowski, J
Schimeczek, M
Piskorz, P
Moncrieff, D
Citation: J. Cioslowski et al., Thermal rearrangement of ethynylarenes to cyclopentafused polycyclic aromatic hydrocarbons: An electronic structure study, J AM CHEM S, 121(15), 1999, pp. 3773-3778
Authors:
Cioslowski, J
Citation: J. Cioslowski, Theoretical treatise on molecular structure and geometry, TH COMP CHE, 6, 1999, pp. 1-20
Authors:
Cioslowski, J
Liu, GH
Piskorz, P
Citation: J. Cioslowski et al., Computationally inexpensive theoretical thermochemistry, J PHYS CH A, 102(48), 1998, pp. 9890-9900