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Results: 1-25/63
Authors:
Del Bene, JE
Perera, SA
Bartlett, RJ
Citation: Je. Del Bene et al., What parameters determine N-N and O-O coupling constants ((2h)Jx-x) acrossX-H+-X hydrogen bonds?, J PHYS CH A, 105(5), 2001, pp. 930-934
Authors:
Del Bene, JE
Jordan, MJT
Perera, SA
Bartlett, RJ
Citation: Je. Del Bene et al., Vibrational effects on the F-F spin-spin coupling constant ((2h)J(F-F)) inFHF- and FDF-, J PHYS CH A, 105(37), 2001, pp. 8399-8402
Authors:
Wilson, KJ
Perera, SA
Bartlett, RJ
Watts, JD
Citation: Kj. Wilson et al., Stabilization of the pseudo-benzene N-6 ring with oxygen, J PHYS CH A, 105(32), 2001, pp. 7693-7699
Authors:
Hsiao, YW
Runge, K
Cory, MG
Bartlett, RJ
Citation: Yw. Hsiao et al., Direct molecular dynamics using quantum chemical hamiltonians: C-60 impacton a passive surface, J PHYS CH A, 105(29), 2001, pp. 7004-7010
Authors:
Fau, S
Bartlett, RJ
Citation: S. Fau et Rj. Bartlett, Possible products of the end-on addition of N-3(-) to N-5(+) and their stability, J PHYS CH A, 105(16), 2001, pp. 4096-4106
Authors:
Tobita, M
Bartlett, RJ
Citation: M. Tobita et Rj. Bartlett, Structure and stability of N-6 isomers and their spectroscopic characteristics, J PHYS CH A, 105(16), 2001, pp. 4107-4113
Authors:
Del Bene, JE
Perera, SA
Bartlett, RJ
Citation: Je. Del Bene et al., N-15,N-15 spin-spin coupling constants across N-H-N and N-H+-N hydrogen bonds: can coupling constants provide reliable estimates of N-N distances in biomolecules?, MAGN RES CH, 39, 2001, pp. S109-S114
Authors:
Perera, SA
Bartlett, RJ
Citation: Sa. Perera et Rj. Bartlett, A correlated ab initio study of Karplus relations for model peptides, MAGN RES CH, 39, 2001, pp. S183-S189
Authors:
Bartlett, RJ
Clatworthy, MG
Nguyen, TNV
Citation: Rj. Bartlett et al., Graft selection in reconstruction of the anterior cruciate ligament, J BONE-BR V, 83B(5), 2001, pp. 625-634
Authors:
Musial, M
Kucharski, SA
Bartlett, RJ
Citation: M. Musial et al., Coupled cluster study of the triple bond, J MOL ST-TH, 547, 2001, pp. 269-278
Authors:
Ross, DS
Bartlett, RJ
Zhang, H
Citation: Ds. Ross et al., Photochemically induced formation of the "Al-13" tridecameric polycation in the presence of Fe(III) and organic acids, CHEMOSPHERE, 44(4), 2001, pp. 827-832
Authors:
Hirata, S
Nooijen, M
Grabowski, I
Bartlett, RJ
Citation: S. Hirata et al., Perturbative corrections to coupled-cluster and equation-of-motion coupled-cluster energies: A determinantal analysis (vol 114, pg 3919, 2001), J CHEM PHYS, 115(8), 2001, pp. 3967-3968
Authors:
Hirata, S
Ivanov, S
Grabowski, I
Bartlett, RJ
Burke, K
Talman, JD
Citation: S. Hirata et al., Can optimized effective potentials be determined uniquely?, J CHEM PHYS, 115(4), 2001, pp. 1635-1649
Authors:
Kucharski, SA
Wloch, M
Musial, M
Bartlett, RJ
Citation: Sa. Kucharski et al., Coupled-cluster theory for excited electronic states: The full equation-of-motion coupled-cluster single, double, and triple excitation method, J CHEM PHYS, 115(18), 2001, pp. 8263-8266
Authors:
Meissner, L
Bartlett, RJ
Citation: L. Meissner et Rj. Bartlett, A new approach to the problem of noniterative corrections within the coupled-cluster framework, J CHEM PHYS, 115(1), 2001, pp. 50-61
Authors:
Hirata, S
Nooijen, M
Grabowski, I
Bartlett, RJ
Citation: S. Hirata et al., Perturbative corrections to coupled-cluster and equation-of-motion coupled-cluster energies: A determinantal analysis, J CHEM PHYS, 114(9), 2001, pp. 3919-3928
Authors:
Ivanov, S
Bartlett, RJ
Citation: S. Ivanov et Rj. Bartlett, An exact second-order expression for the density functional theory correlation potential for molecules, J CHEM PHYS, 114(5), 2001, pp. 1952-1955
Authors:
Tobita, M
Hirata, S
Bartlett, RJ
Citation: M. Tobita et al., A crystalline orbital study of polydiacetylenes, J CHEM PHYS, 114(20), 2001, pp. 9130-9141
Authors:
Kucharski, SA
Kolaski, M
Bartlett, RJ
Citation: Sa. Kucharski et al., Toward the limits of predictive electronic structure theory: Connected quadruple excitations for large basis set calculations, J CHEM PHYS, 114(2), 2001, pp. 692-700
Authors:
Runge, K
Cory, MG
Bartlett, RJ
Citation: K. Runge et al., The calculation of thermal rate constants for gas phase reactions: A semiclassical flux-flux autocorrelation function (SCFFAF) approach, J CHEM PHYS, 114(12), 2001, pp. 5141-5148
Authors:
Hirata, S
Grabowski, I
Tobita, M
Bartlett, RJ
Citation: S. Hirata et al., Highly accurate treatment of electron correlation in polymers: coupled-cluster and many-body perturbation theories, CHEM P LETT, 345(5-6), 2001, pp. 475-480
Authors:
Henderson, TM
Runge, K
Bartlett, RJ
Citation: Tm. Henderson et al., Electron correlation in artificial atoms, CHEM P LETT, 337(1-3), 2001, pp. 138-142
Authors:
Bartlett, RJ
Citation: Rj. Bartlett, Perspective on "On the correlation problem in atomic and molecular systems. Calculation of wavefunction components in Ursell-type expansion using quantum-field theoretical methods" - Cizek J (1966) J Chem Phys 45 : 4256, THEOR CH AC, 103(3-4), 2000, pp. 273-275
Authors:
Sekusak, S
Piecuch, P
Bartlett, RJ
Cory, MG
Citation: S. Sekusak et al., A general reaction path dual-level direct dynamics calculation of the reaction of hydroxyl radical with dimethyl sulfide, J PHYS CH A, 104(38), 2000, pp. 8779-8786
Authors:
Del Bene, JE
Perera, SA
Bartlett, RJ
Alkorta, I
Elguero, J
Citation: Je. Del Bene et al., (4h)J(P-31-P-31) coupling constants through N-H+-N hydrogen bonds: A comparsion of computed ab initio and experimental data, J PHYS CH A, 104(31), 2000, pp. 7165-7166