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Results: 1-12 |
Results: 12
ELECTROSTATIC INVESTIGATION OF METAL CATION-BINDING TO DNA BASES AND BASE-PAIRS
Authors: GADRE SR PUNDLIK SS LIMAYE AC RENDELL AP
Citation: Sr. Gadre et al., ELECTROSTATIC INVESTIGATION OF METAL CATION-BINDING TO DNA BASES AND BASE-PAIRS, Chemical communications, (5), 1998, pp. 573-574
A PARALLEL 2ND-ORDER MOLLER-PLESSET GRADIENT
Authors: FLETCHER GD RENDELL AP SHERWOOD P
Citation: Gd. Fletcher et al., A PARALLEL 2ND-ORDER MOLLER-PLESSET GRADIENT, Molecular physics, 91(3), 1997, pp. 431-438
A DIRECT-COUPLED CLUSTER ALGORITHM FOR MASSIVELY-PARALLEL COMPUTERS
Authors: KOBAYASHI R RENDELL AP
Citation: R. Kobayashi et Ap. Rendell, A DIRECT-COUPLED CLUSTER ALGORITHM FOR MASSIVELY-PARALLEL COMPUTERS, Chemical physics letters, 265(1-2), 1997, pp. 1-11
PARALLEL DIRECT 4-INDEX TRANSFORMATIONS
Authors: WONG AT HARRISON RJ RENDELL AP
Citation: At. Wong et al., PARALLEL DIRECT 4-INDEX TRANSFORMATIONS, Theoretica Chimica Acta, 93(6), 1996, pp. 317-331
ON THE ORBITAL CONTRIBUTION TO ANALYTICAL DERIVATIVES OF PERTURBATION-THEORY ENERGIES
Authors: LEE TJ RACINE SC RICE JE RENDELL AP
Citation: Tj. Lee et al., ON THE ORBITAL CONTRIBUTION TO ANALYTICAL DERIVATIVES OF PERTURBATION-THEORY ENERGIES, Molecular physics, 85(3), 1995, pp. 561-571
INVESTIGATION OF A DIAGNOSTIC FOR PERTURBATION-THEORY - COMPARISON TOTHE T-1 DIAGNOSTIC OF COUPLED-CLUSTER THEORY
Authors: LEE TJ HEADGORDON M RENDELL AP
Citation: Tj. Lee et al., INVESTIGATION OF A DIAGNOSTIC FOR PERTURBATION-THEORY - COMPARISON TOTHE T-1 DIAGNOSTIC OF COUPLED-CLUSTER THEORY, Chemical physics letters, 243(5-6), 1995, pp. 402-408
STRUCTURES, RELATIVE STABILITIES, AND SPECTRA OF ISOMERS OF HCLO2
Authors: FRANCISCO JS SANDER SP LEE TJ RENDELL AP
Citation: Js. Francisco et al., STRUCTURES, RELATIVE STABILITIES, AND SPECTRA OF ISOMERS OF HCLO2, Journal of physical chemistry, 98(22), 1994, pp. 5644-5649
COUPLED-CLUSTER THEORY EMPLOYING APPROXIMATE INTEGRALS - AN APPROACH TO AVOID THE INPUT OUTPUT AND STORAGE BOTTLENECKS/
Authors: RENDELL AP LEE TJ
Citation: Ap. Rendell et Tj. Lee, COUPLED-CLUSTER THEORY EMPLOYING APPROXIMATE INTEGRALS - AN APPROACH TO AVOID THE INPUT OUTPUT AND STORAGE BOTTLENECKS/, The Journal of chemical physics, 101(1), 1994, pp. 400-408
OPEN-SHELL RESTRICTED HARTREE-FOCK PERTURBATION-THEORY - SOME CONSIDERATIONS AND COMPARISONS
Authors: LEE TJ RENDELL AP DYALL KG JAYATILAKA D
Citation: Tj. Lee et al., OPEN-SHELL RESTRICTED HARTREE-FOCK PERTURBATION-THEORY - SOME CONSIDERATIONS AND COMPARISONS, The Journal of chemical physics, 100(10), 1994, pp. 7400-7409
DIAGONALIZATION-FREE SCF
Authors: RENDELL AP
Citation: Ap. Rendell, DIAGONALIZATION-FREE SCF, Chemical physics letters, 229(3), 1994, pp. 204-210
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
AB-INITIO CHARACTERIZATION OF CLOOH - IMPLICATIONS FOR ATMOSPHERIC CHEMISTRY
Authors: LEE TJ RENDELL AP
Citation: Tj. Lee et Ap. Rendell, AB-INITIO CHARACTERIZATION OF CLOOH - IMPLICATIONS FOR ATMOSPHERIC CHEMISTRY, Journal of physical chemistry, 97(27), 1993, pp. 6999-7002
Risultati: 1-12 |