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Results: 1-21 |
Results: 21
CHEMIO - HIGH-PERFORMANCE PARALLEL I O FOR COMPUTATIONAL CHEMISTRY APPLICATIONS/
Authors: NIEPLOCHA J FOSTER I KENDALL RA
Citation: J. Nieplocha et al., CHEMIO - HIGH-PERFORMANCE PARALLEL I O FOR COMPUTATIONAL CHEMISTRY APPLICATIONS/, INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS, 12(3), 1998, pp. 345-363
AB-INITIO STUDY OF THE VAN-DER-WAALS INTERACTION OF NH(X-3-SIGMA(-)) WITH AR(S-1)
Authors: KENDALL RA CHALASINSKI G KLOS J BUKOWSKI R SEVERSON MW SZCZESNIAK MM CYBULSKI SM
Citation: Ra. Kendall et al., AB-INITIO STUDY OF THE VAN-DER-WAALS INTERACTION OF NH(X-3-SIGMA(-)) WITH AR(S-1), The Journal of chemical physics, 108(8), 1998, pp. 3235-3242
THE IMPACT OF THE RESOLUTION OF THE IDENTITY APPROXIMATE INTEGRAL METHOD ON MODERN AB-INITIO ALGORITHM DEVELOPMENT
Authors: KENDALL RA FRUCHTL HA
Citation: Ra. Kendall et Ha. Fruchtl, THE IMPACT OF THE RESOLUTION OF THE IDENTITY APPROXIMATE INTEGRAL METHOD ON MODERN AB-INITIO ALGORITHM DEVELOPMENT, Theoretical chemistry accounts, 97(1-4), 1997, pp. 158-163
A THEORETICAL CASE-STUDY OF SUBSTITUENT EFFECTS AND MICROSOLVATION ONTHE BINDING-SPECIFICITY OF CROWN-ETHERS
Authors: FELLER D THOMPSON MA KENDALL RA
Citation: D. Feller et al., A THEORETICAL CASE-STUDY OF SUBSTITUENT EFFECTS AND MICROSOLVATION ONTHE BINDING-SPECIFICITY OF CROWN-ETHERS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(39), 1997, pp. 7292-7298
AR-C2H2 - A CHALLENGING SYSTEM FOR AB-INITIO CALCULATIONS
Authors: HASSE RD SEVERSON MW SZCZESNIAK MM CHALASINSKI G CIEPLAK P KENDALL RA CYBULSKI SM
Citation: Rd. Hasse et al., AR-C2H2 - A CHALLENGING SYSTEM FOR AB-INITIO CALCULATIONS, Journal of molecular structure, 437, 1997, pp. 387-400
AB-INITIO STUDY OF THE O-2(X (3)SIGMA(G)(-))-1) VANDERWAALS INTERACTION(AR(S)
Authors: CYBULSKI SM KENDALL RA CHALASINSKI G SEVERSON MW SZCZESNIAK MM
Citation: Sm. Cybulski et al., AB-INITIO STUDY OF THE O-2(X (3)SIGMA(G)(-))-1) VANDERWAALS INTERACTION(AR(S), The Journal of chemical physics, 106(18), 1997, pp. 7731-7737
AN IMPLEMENTATION OF RI-SCF ON PARALLEL COMPUTERS
Authors: FRUCHTL HA KENDALL RA HARRISON RJ DYALL KG
Citation: Ha. Fruchtl et al., AN IMPLEMENTATION OF RI-SCF ON PARALLEL COMPUTERS, International journal of quantum chemistry, 64(1), 1997, pp. 63-69
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
HIGH-PERFORMANCE COMPUTING IN CHEMISTRY - NW CHEM
Authors: GUEST MF APRA E BERNHOLDT DE FRUCHTL HA HARRISON RJ KENDALL RA KUTTEH RA LONG X NICHOLAS JB NICHOLS JA TAYLOR HL WONG AT FANN GI LITTLEFIELD RJ NIEPLOCHA J
Citation: Mf. Guest et al., HIGH-PERFORMANCE COMPUTING IN CHEMISTRY - NW CHEM, Future generations computer systems, 12(4), 1996, pp. 273-289
PARALLEL COMPUTATIONAL CHEMISTRY MADE EASIER - THE DEVELOPMENT OF NWCHEM
Authors: BERNHOLDT DE APRA E FRUCHTL HA GUEST MF HARRISON RJ KENDALL RA KUTTEH RA LONG X NICHOLAS JB NICHOLS JA TAYLOR HL WONG AT
Citation: De. Bernholdt et al., PARALLEL COMPUTATIONAL CHEMISTRY MADE EASIER - THE DEVELOPMENT OF NWCHEM, International journal of quantum chemistry, 1995, pp. 475-483
ON THE TUNING AND STRETCHED OCTAVE OF JAVANESE GAMELANS
Authors: CARTERETTE EC KENDALL RA
Citation: Ec. Carterette et Ra. Kendall, ON THE TUNING AND STRETCHED OCTAVE OF JAVANESE GAMELANS, Leonardo music journal, 4, 1994, pp. 59-68
SUPERMOLECULAR APPROACH TO MANY-BODY DISPERSION INTERACTIONS IN WEAK VAN-DER-WAALS COMPLEXES - HE, NE, AND AR TRIMERS
Authors: CHALASINSKI G SZCZESNIAK MM KENDALL RA
Citation: G. Chalasinski et al., SUPERMOLECULAR APPROACH TO MANY-BODY DISPERSION INTERACTIONS IN WEAK VAN-DER-WAALS COMPLEXES - HE, NE, AND AR TRIMERS, The Journal of chemical physics, 101(10), 1994, pp. 8860-8869
AN EXTENDED BASIS-SET AB-INITIO STUDY OF LI-6( (H2O)N, N=1)
Authors: FELLER D GLENDENING ED KENDALL RA PETERSON KA
Citation: D. Feller et al., AN EXTENDED BASIS-SET AB-INITIO STUDY OF LI-6( (H2O)N, N=1), The Journal of chemical physics, 100(7), 1994, pp. 4981-4997
VERBAL ATTRIBUTES OF SIMULTANEOUS WIND INSTRUMENT TIMBRES .1. VONBISMARCK ADJECTIVES
Authors: KENDALL RA CARTERETTE EC
Citation: Ra. Kendall et Ec. Carterette, VERBAL ATTRIBUTES OF SIMULTANEOUS WIND INSTRUMENT TIMBRES .1. VONBISMARCK ADJECTIVES, Music perception, 10(4), 1993, pp. 445-468
VERBAL ATTRIBUTES OF SIMULTANEOUS WIND INSTRUMENT TIMBRES .2. ADJECTIVES INDUCED FROM PISTON ORCHESTRATION
Authors: KENDALL RA CARTERETTE EC
Citation: Ra. Kendall et Ec. Carterette, VERBAL ATTRIBUTES OF SIMULTANEOUS WIND INSTRUMENT TIMBRES .2. ADJECTIVES INDUCED FROM PISTON ORCHESTRATION, Music perception, 10(4), 1993, pp. 469-502
IMPLEMENTATION OF THE DIRECT SCF AND RPA METHODS ON LOOSELY-COUPLED NETWORKS OF WORKSTATIONS
Authors: FEYEREISEN MW KENDALL RA NICHOLS J DAME D GOLAB JT
Citation: Mw. Feyereisen et al., IMPLEMENTATION OF THE DIRECT SCF AND RPA METHODS ON LOOSELY-COUPLED NETWORKS OF WORKSTATIONS, Journal of computational chemistry, 14(7), 1993, pp. 818-830
DISTRIBUTED DATA-PARALLEL COUPLED-CLUSTER ALGORITHM - APPLICATION TO THE 2-HYDROXYPYRIDINE 2-PYRIDONE TAUTOMERISM
Authors: RENDELL AP GUEST MF KENDALL RA
Citation: Ap. Rendell et al., DISTRIBUTED DATA-PARALLEL COUPLED-CLUSTER ALGORITHM - APPLICATION TO THE 2-HYDROXYPYRIDINE 2-PYRIDONE TAUTOMERISM, Journal of computational chemistry, 14(12), 1993, pp. 1429-1439
BENCHMARK CALCULATIONS WITH CORRELATED MOLECULAR WAVE-FUNCTIONS .2. CONFIGURATION-INTERACTION CALCULATIONS ON 1ST-ROW DIATOMIC HYDRIDES
Authors: PETERSON KA KENDALL RA DUNNING TH
Citation: Ka. Peterson et al., BENCHMARK CALCULATIONS WITH CORRELATED MOLECULAR WAVE-FUNCTIONS .2. CONFIGURATION-INTERACTION CALCULATIONS ON 1ST-ROW DIATOMIC HYDRIDES, The Journal of chemical physics, 99(3), 1993, pp. 1930-1944
BENCHMARK CALCULATIONS WITH CORRELATED MOLECULAR WAVE-FUNCTIONS .3. CONFIGURATION-INTERACTION CALCULATIONS ON 1ST ROW HOMONUCLEAR DIATOMICS
Authors: PETERSON KA KENDALL RA DUNNING TH
Citation: Ka. Peterson et al., BENCHMARK CALCULATIONS WITH CORRELATED MOLECULAR WAVE-FUNCTIONS .3. CONFIGURATION-INTERACTION CALCULATIONS ON 1ST ROW HOMONUCLEAR DIATOMICS, The Journal of chemical physics, 99(12), 1993, pp. 9790-9805
HIGH-PERFORMANCE COMPUTING IN CHEMISTRY AND MASSIVELY-PARALLEL COMPUTERS - A SIMPLE TRANSITION
Authors: KENDALL RA
Citation: Ra. Kendall, HIGH-PERFORMANCE COMPUTING IN CHEMISTRY AND MASSIVELY-PARALLEL COMPUTERS - A SIMPLE TRANSITION, International journal of quantum chemistry, 1993, pp. 769-779
Risultati: 1-21 |