Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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11 |
Material Type: Artigo
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Open-shell coupled-cluster theoryJayatilaka, Dylan ; Lee, Timothy J.The Journal of chemical physics, 1993-06, Vol.98 (12), p.9734-9747 [Periódico revisado por pares]Legacy CDMS: American Institute of PhysicsTexto completo disponível |
12 |
Material Type: Artigo
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The binding energies of Cu(+)-(H2O)n and Cu(+)-(NH3)n (n = 1-4)Bauschlicher, Charles W., Jr ; Langhoff, Stephen R. ; Partridge, HarryThe Journal of chemical physics, 1991-02, Vol.94 (3), p.2068-2072 [Periódico revisado por pares]Legacy CDMS: American Institute of PhysicsTexto completo disponível |
13 |
Material Type: Artigo
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Near Hartree-Fock quality GTO basis sets for the first- and third-row atomsPartridge, HarryThe Journal of chemical physics, 1989-01, Vol.90 (2), p.1043-1047 [Periódico revisado por pares]Legacy CDMS: American Institute of PhysicsTexto completo disponível |
14 |
Material Type: Artigo
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Analytic gradients for coupled-cluster energies that include noniterative connected triple excitations - Application to cis- and trans-HONOLee, Timothy J. ; Rendell, Alistair P.The Journal of chemical physics, 1991-05, Vol.94 [Periódico revisado por pares]Legacy CDMSTexto completo disponível |
15 |
Material Type: Artigo
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Thermal expansivity, bulk modulus, and melting curve of H2O-ice VII to 20 GPaFei, Yingwei ; Mao, Ho-Kwang ; Hemley, Russell J.The Journal of chemical physics, 1993-10, Vol.99 (7), p.5369-5373 [Periódico revisado por pares]Legacy CDMS: American Institute of PhysicsTexto completo disponível |
16 |
Material Type: Artigo
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Transient nucleation in condensed systemsKelton, K. F. ; Greer, A. L. ; Thompson, C. V.The Journal of chemical physics, 1983-12, Vol.79 (12), p.6261-6276 [Periódico revisado por pares]Legacy CDMS: American Institute of PhysicsTexto completo disponível |
17 |
Material Type: Artigo
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High-resolution near-infrared spectroscopy of water dimerHuang, Z. S. ; Miller, R. E.The Journal of chemical physics, 1989-12, Vol.91 (11), p.6613-6631 [Periódico revisado por pares]Legacy CDMS: American Institute of PhysicsTexto completo disponível |
18 |
Material Type: Artigo
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The vibrational frequencies of ozoneLee, Timothy J. ; Scuseria, Gustavo E.The Journal of chemical physics, 1990-07, Vol.93 (1), p.489-494 [Periódico revisado por pares]Legacy CDMS: American Institute of PhysicsTexto completo disponível |
19 |
Material Type: Artigo
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All-electron molecular Dirac-Hartree-Fock calculations - The group IV tetrahydrides CH4, SiH4, GeH4, SnH4, and PbH4Dyall, Kenneth G. ; Taylor, Peter R. ; Faegri, Knut, Jr ; Partridge, HarryThe Journal of chemical physics, 1991-08, Vol.95 (4), p.2583-2594 [Periódico revisado por pares]Legacy CDMS: American Institute of PhysicsTexto completo disponível |
20 |
Material Type: Artigo
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Excess chemical potential of small solutes across water--membrane and water--hexane interfacesPohorille, A. ; Wilson, M. A.The Journal of chemical physics, 1996-03, Vol.104 (10), p.3760-3773 [Periódico revisado por pares]Ames Research CenterTexto completo disponível |