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Results: 1-14 |
Results: 14
A QUASI-CLASSICAL TRAJECTORY STUDY OF PRODUCT STATE DISTRIBUTIONS FROM THE CN-2-]HCN+H REACTION(H)
Authors: BETHARDY GA WAGNER AF SCHATZ GC TERHORST MA
Citation: Ga. Bethardy et al., A QUASI-CLASSICAL TRAJECTORY STUDY OF PRODUCT STATE DISTRIBUTIONS FROM THE CN-2-]HCN+H REACTION(H), The Journal of chemical physics, 106(14), 1997, pp. 6001-6015
THE INFLUENCE OF HINDERED ROTATIONS ON RECOMBINATION DISSOCIATION KINETICS/
Authors: WAGNER AF HARDING LB ROBERTSON SH WARDLAW DM
Citation: Af. Wagner et al., THE INFLUENCE OF HINDERED ROTATIONS ON RECOMBINATION DISSOCIATION KINETICS/, Berichte der Bunsengesellschaft fur Physikalische Chemie, 101(3), 1997, pp. 391-399
TOWARD HIGH-PERFORMANCE COMPUTATIONAL CHEMISTRY .1. SCALABLE FOCK MATRIX CONSTRUCTION ALGORITHMS
Authors: FOSTER IT TILSON JL WAGNER AF SHEPARD RL HARRISON RJ KENDALL RA LITTLEFIELD RJ
Citation: It. Foster et al., TOWARD HIGH-PERFORMANCE COMPUTATIONAL CHEMISTRY .1. SCALABLE FOCK MATRIX CONSTRUCTION ALGORITHMS, Journal of computational chemistry, 17(1), 1996, pp. 109-123
TOWARD HIGH-PERFORMANCE COMPUTATIONAL CHEMISTRY .2. A SCALABLE SELF-CONSISTENT-FIELD PROGRAM
Authors: HARRISON RJ GUEST MF KENDALL RA BERNHOLDT DE WONG AT STAVE M ANCHELL JL HESS AC LITTLEFIELD RJ FANN GL NIEPLOCHA J THOMAS GS ELWOOD D TILSON JL SHEPARD RL WAGNER AF FOSTER IT LUSK E STEVENS R
Citation: Rj. Harrison et al., TOWARD HIGH-PERFORMANCE COMPUTATIONAL CHEMISTRY .2. A SCALABLE SELF-CONSISTENT-FIELD PROGRAM, Journal of computational chemistry, 17(1), 1996, pp. 124-132
THERMAL-DECOMPOSITION OF CF2HCL
Authors: SU MC KUMARAN SS LIM KP MICHAEL JV WAGNER AF DIXON DA KIEFER JH DIFELICE J
Citation: Mc. Su et al., THERMAL-DECOMPOSITION OF CF2HCL, Journal of physical chemistry, 100(39), 1996, pp. 15827-15833
THERMAL-DECOMPOSITION OF CFCL3
Authors: KUMARAN SS SU MC LIM KP MICHAEL JV WAGNER AF
Citation: Ss. Kumaran et al., THERMAL-DECOMPOSITION OF CFCL3, Journal of physical chemistry, 100(18), 1996, pp. 7533-7540
AB-INITIO CALCULATIONS AND 3 DIFFERENT APPLICATIONS OF UNIMOLECULAR RATE THEORY FOR THE DISSOCIATIONS OF CCL4, CFCL3, CF2CL2, AND CF3CL
Authors: KUMARAN SS SU MC LIM KP MICHAEL JV WAGNER AF HARDING LB DIXON DA
Citation: Ss. Kumaran et al., AB-INITIO CALCULATIONS AND 3 DIFFERENT APPLICATIONS OF UNIMOLECULAR RATE THEORY FOR THE DISSOCIATIONS OF CCL4, CFCL3, CF2CL2, AND CF3CL, Journal of physical chemistry, 100(18), 1996, pp. 7541-7549
IMPORTANCE OF HINDERED ROTATIONS IN THE THERMAL-DISSOCIATION OF SMALLUNSATURATED MOLECULES - CLASSICAL FORMULATION AND APPLICATION TO HCN AND HCCH
Authors: KIEFER JH MUDIPALLI PS WAGNER AF HARDING L
Citation: Jh. Kiefer et al., IMPORTANCE OF HINDERED ROTATIONS IN THE THERMAL-DISSOCIATION OF SMALLUNSATURATED MOLECULES - CLASSICAL FORMULATION AND APPLICATION TO HCN AND HCCH, The Journal of chemical physics, 105(18), 1996, pp. 8075-8096
CANONICAL FLEXIBLE TRANSITION-STATE THEORY FOR GENERALIZED REACTION PATHS
Authors: ROBERTSON SH WAGNER AF WARDLAW DM
Citation: Sh. Robertson et al., CANONICAL FLEXIBLE TRANSITION-STATE THEORY FOR GENERALIZED REACTION PATHS, Faraday discussions, (102), 1995, pp. 65-83
THERMAL-DECOMPOSITION OF CF2CL2
Authors: KUMARAN SS LIM KP MICHAEL JV WAGNER AF
Citation: Ss. Kumaran et al., THERMAL-DECOMPOSITION OF CF2CL2, Journal of physical chemistry, 99(21), 1995, pp. 8673-8680
CANONICAL FLEXIBLE TRANSITION-STATE THEORY REVISITED
Authors: ROBERTSON SH WAGNER AF WARDLAW DM
Citation: Sh. Robertson et al., CANONICAL FLEXIBLE TRANSITION-STATE THEORY REVISITED, The Journal of chemical physics, 103(8), 1995, pp. 2917-2928
AN ADAPTATION OF THE LOG-DERIVATIVE METHOD TO MASSIVELY-PARALLEL COMPUTERS
Authors: BURLEIGH DC WAGNER AF
Citation: Dc. Burleigh et Af. Wagner, AN ADAPTATION OF THE LOG-DERIVATIVE METHOD TO MASSIVELY-PARALLEL COMPUTERS, Chemical physics letters, 245(6), 1995, pp. 679-687
THEORETICAL-STUDIES OF HE(S-1)-PI-2) .1. AB-INITIO POTENTIAL-ENERGY SURFACES(CH(CHI)
Authors: WAGNER AF DUNNING TH KOK RA
Citation: Af. Wagner et al., THEORETICAL-STUDIES OF HE(S-1)-PI-2) .1. AB-INITIO POTENTIAL-ENERGY SURFACES(CH(CHI), The Journal of chemical physics, 100(2), 1994, pp. 1326-1337
THEORETICAL-STUDIES OF HE(S-1)-PI-2) .2. FULLY AB-INITIO CROSS-SECTIONS FOR THE INELASTIC-SCATTERING AND COMPARISON WITH EXPERIMENT(CH(CHI)
Authors: ALEXANDER MH KEARNEY WR WAGNER AF
Citation: Mh. Alexander et al., THEORETICAL-STUDIES OF HE(S-1)-PI-2) .2. FULLY AB-INITIO CROSS-SECTIONS FOR THE INELASTIC-SCATTERING AND COMPARISON WITH EXPERIMENT(CH(CHI), The Journal of chemical physics, 100(2), 1994, pp. 1338-1349
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