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Results: 1-25 | 26-28
Results: 1-25/28
MULTIPLE ELECTRON EXCHANGES IN CALCULATIONS OF PAIRWISE NONADDITIVE CONTRIBUTION TO TRIMER INTERACTION ENERGY
Authors: LOTRICH VF SZALEWICZ K JEZIORSKI B
Citation: Vf. Lotrich et al., MULTIPLE ELECTRON EXCHANGES IN CALCULATIONS OF PAIRWISE NONADDITIVE CONTRIBUTION TO TRIMER INTERACTION ENERGY, Polish Journal of Chemistry, 72(7), 1998, pp. 1826-1848
COMMENT ON ON THE IMPORTANCE OF THE FRAGMENT RELAXATION ENERGY TERMS IN THE ESTIMATION OF THE BASIS-SET SUPERPOSITION ERROR-CORRECTION TO THE INTERMOLECULAR INTERACTION ENERGY [J CHEM PHYS 104, 8821 (1996)]
Authors: SZALEWICZ K JEZIORSKI B
Citation: K. Szalewicz et B. Jeziorski, COMMENT ON ON THE IMPORTANCE OF THE FRAGMENT RELAXATION ENERGY TERMS IN THE ESTIMATION OF THE BASIS-SET SUPERPOSITION ERROR-CORRECTION TO THE INTERMOLECULAR INTERACTION ENERGY [J CHEM PHYS 104, 8821 (1996)], The Journal of chemical physics, 109(3), 1998, pp. 1198-1200
AB-INITIO POTENTIAL-ENERGY SURFACE AND INFRARED-SPECTRA OF H-2-CO ANDD-2-CO VANDERWAALS-COMPLEXES
Authors: JANKOWSKI P SZALEWICZ K
Citation: P. Jankowski et K. Szalewicz, AB-INITIO POTENTIAL-ENERGY SURFACE AND INFRARED-SPECTRA OF H-2-CO ANDD-2-CO VANDERWAALS-COMPLEXES, The Journal of chemical physics, 108(9), 1998, pp. 3554-3565
ANALYTIC FIRST-ORDER PROPERTIES FROM EXPLICITLY CORRELATED MANY-BODY PERTURBATION-THEORY AND GAUSSIAN GEMINAL BASIS
Authors: BUKOWSKI R JEZIORSKI B SZALEWICZ K
Citation: R. Bukowski et al., ANALYTIC FIRST-ORDER PROPERTIES FROM EXPLICITLY CORRELATED MANY-BODY PERTURBATION-THEORY AND GAUSSIAN GEMINAL BASIS, The Journal of chemical physics, 108(19), 1998, pp. 7946-7958
SYMMETRY-ADAPTED PERTURBATION-THEORY OF 3-BODY NONADDITIVITY IN THE AR2HF TRIMER
Authors: LOTRICH VF JANKOWSKI P SZALEWICZ K
Citation: Vf. Lotrich et al., SYMMETRY-ADAPTED PERTURBATION-THEORY OF 3-BODY NONADDITIVITY IN THE AR2HF TRIMER, The Journal of chemical physics, 108(12), 1998, pp. 4725-4738
DOES THE METHYL-GROUP FORM A HYDROGEN-BOND - AB-INITIO POST-HARTREE-FOCK STUDY ON ETHANE-HYDROGEN CYANIDE COMPLEX
Authors: KOMASA J SZALEWICZ K LESZCZYNSKI J
Citation: J. Komasa et al., DOES THE METHYL-GROUP FORM A HYDROGEN-BOND - AB-INITIO POST-HARTREE-FOCK STUDY ON ETHANE-HYDROGEN CYANIDE COMPLEX, Chemical physics letters, 285(5-6), 1998, pp. 449-454
KOLOS,WLODZIMIERZ - OBITUARY
Authors: JEZIORSKI B PIELA L SZALEWICZ K
Citation: B. Jeziorski et al., KOLOS,WLODZIMIERZ - OBITUARY, Physics today, 50(6), 1997, pp. 108-109
3-BODY CONTRIBUTION TO BINDING-ENERGY OF SOLID ARGON AND ANALYSIS OF CRYSTAL-STRUCTURE
Authors: LOTRICH VF SZALEWICZ K
Citation: Vf. Lotrich et K. Szalewicz, 3-BODY CONTRIBUTION TO BINDING-ENERGY OF SOLID ARGON AND ANALYSIS OF CRYSTAL-STRUCTURE, Physical review letters, 79(7), 1997, pp. 1301-1304
PAIR POTENTIAL FOR WATER FROM SYMMETRY-ADAPTED PERTURBATION-THEORY
Authors: MAS EM SZALEWICZ K BUKOWSKI R JEZIORSKI B
Citation: Em. Mas et al., PAIR POTENTIAL FOR WATER FROM SYMMETRY-ADAPTED PERTURBATION-THEORY, The Journal of chemical physics, 107(11), 1997, pp. 4207-4218
SYMMETRY-ADAPTED PERTURBATION-THEORY OF 3-BODY NONADDITIVITY OF INTERMOLECULAR INTERACTION ENERGY
Authors: LOTRICH VF SZALEWICZ K
Citation: Vf. Lotrich et K. Szalewicz, SYMMETRY-ADAPTED PERTURBATION-THEORY OF 3-BODY NONADDITIVITY OF INTERMOLECULAR INTERACTION ENERGY, The Journal of chemical physics, 106(23), 1997, pp. 9668-9687
SYMMETRY-ADAPTED PERTURBATION-THEORY OF 3-BODY NONADDITIVITY IN AR TRIMER
Authors: LOTRICH VF SZALEWICZ K
Citation: Vf. Lotrich et K. Szalewicz, SYMMETRY-ADAPTED PERTURBATION-THEORY OF 3-BODY NONADDITIVITY IN AR TRIMER, The Journal of chemical physics, 106(23), 1997, pp. 9688-9702
HELIUM DIMER POTENTIAL FROM SYMMETRY-ADAPTED PERTURBATION-THEORY CALCULATIONS USING LARGE GAUSSIAN GEMINAL AND ORBITAL BASIS-SETS
Authors: KORONA T WILLIAMS HL BUKOWSKI R JEZIORSKI B SZALEWICZ K
Citation: T. Korona et al., HELIUM DIMER POTENTIAL FROM SYMMETRY-ADAPTED PERTURBATION-THEORY CALCULATIONS USING LARGE GAUSSIAN GEMINAL AND ORBITAL BASIS-SETS, The Journal of chemical physics, 106(12), 1997, pp. 5109-5122
COMPLETENESS CRITERIA FOR EXPLICITLY CORRELATED GAUSSIAN GEMINAL BASES OF AXIAL SYMMETRY
Authors: JEZIORSKI B BUKOWSKI R SZALEWICZ K
Citation: B. Jeziorski et al., COMPLETENESS CRITERIA FOR EXPLICITLY CORRELATED GAUSSIAN GEMINAL BASES OF AXIAL SYMMETRY, International journal of quantum chemistry, 61(5), 1997, pp. 769-776
DYNAMICAL COUPLING OF THE DIATOM VIBRATIONAL MOTIONS IN COLLISIONS OFN-2 WITH N-2(+)
Authors: SOHLBERG K SZALEWICZ K
Citation: K. Sohlberg et K. Szalewicz, DYNAMICAL COUPLING OF THE DIATOM VIBRATIONAL MOTIONS IN COLLISIONS OFN-2 WITH N-2(+), Chemical physics, 206(1-2), 1996, pp. 87-101
BASIS-SET SUPERPOSITION PROBLEM IN INTERACTION ENERGY CALCULATIONS WITH EXPLICITLY CORRELATED BASES - SATURATED 2ND-ORDER AND 3RD-ORDER ENERGIES FOR HE-2
Authors: BUKOWSKI R JEZIORSKI B SZALEWICZ K
Citation: R. Bukowski et al., BASIS-SET SUPERPOSITION PROBLEM IN INTERACTION ENERGY CALCULATIONS WITH EXPLICITLY CORRELATED BASES - SATURATED 2ND-ORDER AND 3RD-ORDER ENERGIES FOR HE-2, The Journal of chemical physics, 104(9), 1996, pp. 3306-3319
EFFECTS OF MONOMER GEOMETRY AND BASIS-SET SATURATION ON COMPUTED DEPTH OF WATER DIMER POTENTIAL
Authors: MAS EM SZALEWICZ K
Citation: Em. Mas et K. Szalewicz, EFFECTS OF MONOMER GEOMETRY AND BASIS-SET SATURATION ON COMPUTED DEPTH OF WATER DIMER POTENTIAL, The Journal of chemical physics, 104(19), 1996, pp. 7606-7614
HELIUM DIMER POTENTIAL FROM SYMMETRY-ADAPTED PERTURBATION-THEORY
Authors: WILLIAMS HL KORONA T BUKOWSKI R JEZIORSKI B SZALEWICZ K
Citation: Hl. Williams et al., HELIUM DIMER POTENTIAL FROM SYMMETRY-ADAPTED PERTURBATION-THEORY, Chemical physics letters, 262(3-4), 1996, pp. 431-436
ON THE EFFECTIVENESS OF MONOMER-CENTERED, DIMER-CENTERED, AND BOND-CENTERED BASIS FUNCTIONS IN CALCULATIONS OF INTERMOLECULAR INTERACTION ENERGIES
Authors: WILLIAMS HL MAS EM SZALEWICZ K JEZIORSKI B
Citation: Hl. Williams et al., ON THE EFFECTIVENESS OF MONOMER-CENTERED, DIMER-CENTERED, AND BOND-CENTERED BASIS FUNCTIONS IN CALCULATIONS OF INTERMOLECULAR INTERACTION ENERGIES, The Journal of chemical physics, 103(17), 1995, pp. 7374-7391
INTERMOLECULAR POTENTIAL AND ROVIBRATIONAL LEVELS OF AR-HF FROM SYMMETRY-ADAPTED PERTURBATION-THEORY
Authors: LOTRICH VF WILLIAMS HL SZALEWICZ K JEZIORSKI B MOSZYNSKI R WORMER PES VANDERAVOIRD A
Citation: Vf. Lotrich et al., INTERMOLECULAR POTENTIAL AND ROVIBRATIONAL LEVELS OF AR-HF FROM SYMMETRY-ADAPTED PERTURBATION-THEORY, The Journal of chemical physics, 103(14), 1995, pp. 6076-6092
DISPERSION ENERGY IN THE COUPLED PAIR APPROXIMATION WITH NONITERATIVEINCLUSION OF SINGLE AND TRIPLE EXCITATIONS
Authors: WILLIAMS HL SZALEWICZ K MOSZYNSKI R JEZIORSKI B
Citation: Hl. Williams et al., DISPERSION ENERGY IN THE COUPLED PAIR APPROXIMATION WITH NONITERATIVEINCLUSION OF SINGLE AND TRIPLE EXCITATIONS, The Journal of chemical physics, 103(11), 1995, pp. 4586-4599
2ND-ORDER CORRELATION-ENERGY FOR H2O USING EXPLICITLY CORRELATED GAUSSIAN GEMINALS
Authors: BUKOWSKI R JEZIORSKI B RYBAK S SZALEWICZ K
Citation: R. Bukowski et al., 2ND-ORDER CORRELATION-ENERGY FOR H2O USING EXPLICITLY CORRELATED GAUSSIAN GEMINALS, The Journal of chemical physics, 102(2), 1995, pp. 888-897
FUSION IN-FLIGHT FROM THE MOLECULAR CONTINUUM OF DT-MU
Authors: FROELICH P FLORESRIVEROS A WALLENIUS J SZALEWICZ K
Citation: P. Froelich et al., FUSION IN-FLIGHT FROM THE MOLECULAR CONTINUUM OF DT-MU, Physics letters. A, 189(4), 1994, pp. 307-315
SYMMETRY-ADAPTED PERTURBATION-THEORY OF POTENTIAL-ENERGY SURFACES FORWEAKLY-BOUND MOLECULAR-COMPLEXES
Authors: CWIOK T JEZIORSKI B KOLOS W MOSZYNSKI R SZALEWICZ K
Citation: T. Cwiok et al., SYMMETRY-ADAPTED PERTURBATION-THEORY OF POTENTIAL-ENERGY SURFACES FORWEAKLY-BOUND MOLECULAR-COMPLEXES, Journal of molecular structure. Theochem, 113, 1994, pp. 135-151
MANY-BODY THEORY OF EXCHANGE EFFECTS IN INTERMOLECULAR INTERACTIONS -DENSITY-MATRIX APPROACH AND APPLICATIONS TO HE-F-, HE-HF, H2-HF, AND AR-H2 DIMERS
Authors: MOSZYNSKI R JEZIORSKI B RYBAK S SZALEWICZ K WILLIAMS HL
Citation: R. Moszynski et al., MANY-BODY THEORY OF EXCHANGE EFFECTS IN INTERMOLECULAR INTERACTIONS -DENSITY-MATRIX APPROACH AND APPLICATIONS TO HE-F-, HE-HF, H2-HF, AND AR-H2 DIMERS, The Journal of chemical physics, 100(7), 1994, pp. 5080-5092
MANY-BODY THEORY OF EXCHANGE EFFECTS IN INTERMOLECULAR INTERACTIONS -2ND-QUANTIZATION APPROACH AND COMPARISON WITH FULL CONFIGURATION-INTERACTION RESULTS
Authors: MOSZYNSKI R JEZIORSKI B SZALEWICZ K
Citation: R. Moszynski et al., MANY-BODY THEORY OF EXCHANGE EFFECTS IN INTERMOLECULAR INTERACTIONS -2ND-QUANTIZATION APPROACH AND COMPARISON WITH FULL CONFIGURATION-INTERACTION RESULTS, The Journal of chemical physics, 100(2), 1994, pp. 1312-1325
Risultati: 1-25 | 26-28