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Results:
1-16
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Results: 16
Authors:
Kar, T
Angyan, JG
Sannigrahi, IB
Citation: T. Kar et al., Comparison of ab initio Hartree-Fock and Kohn-Sham orbitals in the calculation of atomic charge, bond index, and valence (vol 104A, pg 9954, 2000), J PHYS CH A, 105(3), 2001, pp. 660-660
An efficient method for the coordinate transformation problem of massivelythree-dimensional networks
Authors:
Nemeth, K
Coulaud, O
Monard, G
Angyan, JG
Citation: K. Nemeth et al., An efficient method for the coordinate transformation problem of massivelythree-dimensional networks, J CHEM PHYS, 114(22), 2001, pp. 9747-9753
Distributed polarizability of the water dimer: Field-induced charge transfer along the hydrogen bond
Authors:
Panhuis, MIH
Popelier, PLA
Munn, RW
Angyan, JG
Citation: Mih. Panhuis et al., Distributed polarizability of the water dimer: Field-induced charge transfer along the hydrogen bond, J CHEM PHYS, 114(18), 2001, pp. 7951-7961
Authors:
Dehez, F
Chipot, C
Millot, C
Angyan, JG
Citation: F. Dehez et al., Fast and accurate determination of induction energies: reduction of topologically distributed polarizability models, CHEM P LETT, 338(2-3), 2001, pp. 180-188
Authors:
Angyan, JG
Citation: Jg. Angyan, Chemical building blocks in quantum chemical calculations. Perspective on "The density matrix in many-electron quantum mechanics I. Generalized product functions. Factorization and physical interpretation of the density matrices" - McWeeny R (1959) Proc R Soc Lond Ser A 253 : 242-259, THEOR CH AC, 103(3-4), 2000, pp. 238-241
Authors:
Dehez, F
Soetens, JC
Chipot, C
Angyan, JG
Millot, C
Citation: F. Dehez et al., Determination of distributed polarizabilities from a statistical analysis of induction energies, J PHYS CH A, 104(6), 2000, pp. 1293-1303
Authors:
Kar, T
Angyan, JG
Sannigrahi, AB
Citation: T. Kar et al., Comparison of ab initio Hartree-Fock and Kohn-Sham orbitals in the calculation of atomic charge, bond index, and valence, J PHYS CH A, 104(44), 2000, pp. 9953-9963
Authors:
Somogyi, L
Samu, E
Huszthy, P
Lazar, A
Angyan, JG
Surjan, PR
Hollosi, M
Citation: L. Somogyi et al., Circular dichroism of host-guest complexes of achiral pyridino- and phenazino-18-crown-6 ligands with the enantiomers of chiral aralkyl ammonium salts, CHIRALITY, 13(2), 2000, pp. 109-117
Authors:
Ferenczy, GG
Parkanyi, L
Angyan, JG
Kalman, A
Hegedus, B
Citation: Gg. Ferenczy et al., Crystal and electronic structure of two polymorphic modifications of famotidine. An experimental and theoretical study, J MOL ST-TH, 503(1-2), 2000, pp. 73-79
Authors:
Angyan, JG
Citation: Jg. Angyan, Correlation of bond orders and softnesses, J MOL ST-TH, 501, 2000, pp. 379-388
Authors:
Nemeth, K
Coulaud, O
Monard, G
Angyan, JG
Citation: K. Nemeth et al., Linear scaling algorithm for the coordinate transformation problem of molecular geometry optimization, J CHEM PHYS, 113(14), 2000, pp. 5598-5603
Authors:
Celebi, N
Angyan, JG
Dehez, F
Millot, C
Chipot, C
Citation: N. Celebi et al., Distributed polarizabilities derived from induction energies: A finite perturbation approach, J CHEM PHYS, 112(6), 2000, pp. 2709-2717
Authors:
Reis, H
Papadopoulos, MG
Hattig, C
Angyan, JG
Munn, RW
Citation: H. Reis et al., Distributed first and second order hyperpolarizabilities: An improved calculation of nonlinear optical susceptibilities of molecular crystals, J CHEM PHYS, 112(14), 2000, pp. 6161-6172
Authors:
Csikos, E
Ferenczy, GG
Angyan, JG
Bocskei, Z
Simon, K
Gonczi, C
Hermecz, I
Citation: E. Csikos et al., Colour polymorphism of a bis(quinoxaline) compound, EUR J ORG C, (9), 1999, pp. 2119-2125
Authors:
Demuth, T
Jeanvoine, Y
Hafner, J
Angyan, JG
Citation: T. Demuth et al., Polymorphism in silica studied in the local density and generalized-gradient approximations, J PHYS-COND, 11(19), 1999, pp. 3833-3874
Authors:
Angyan, JG
Rosta, E
Surjan, PR
Citation: Jg. Angyan et al., Covalent bond orders and atomic valences from correlated wavefunctions, CHEM P LETT, 299(1), 1999, pp. 1-8
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1-16
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