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Gustavo E. Scuseria

Veröffentlichungen von Gustavo E. Scuseria zu Scuseria, Gustavo E.. ->
weitere Veröffentlichungen von Gustavo E. Scuseria:
A coupled cluster study of As2 (1990)
Analytic evaluation of energy gradients for the singles and doubles coupled cluster method including perturbative triple excitations: Theory and applications to FOOF and Cr2 (1991)
A coupled cluster study of the classical barrier height of the F+H2→FH+H reaction (1991)
Comparison of coupled-cluster results with a hybrid of Hartree–Fock and density functional theory (1992)
The unimolecular triple dissociation of glyoxal: transition-state structures optimized by configuration interaction and coupled cluster methods (1989)
Halocarbenes CHF, CHCl, and CHBr: geometries, singlet-triplet separations, and vibrational frequencies (1986)
Concerted unimolecular triple dissociation of s-tetrazine: transition-state structural optimizations using configuration interaction and coupled cluster methods (1990)
The elusive signature of CH5+ (1993)
On the connections between Brueckner-coupled-cluster, density-dependent Hartree-Fock, and density functional theory (1995)
Application of open-shell coupled cluster theory to the ground state of GaAs (1991)
Isomers of C60H36 and C70H36 (1994)
Theoretical Study of C90 and C96 Fullerene Isomers (1994)
An ab initio study of the C76 fullerene isomers (1992)
Ab initio theoretical study of the ethynyl radical + carbon monoxide reaction and the HC2CO radical (1991)
Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional (1999)
Veröffentlichungen zu Scuseria, Gustavo E..
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1
Scuseria, Gustavo E. A coupled cluster study of As2
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 92, No. 11 (1990), p. 6722-6727
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1990
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2
Scuseria, Gustavo E. Analytic evaluation of energy gradients for the singles and doubles coupled cluster method including perturbative triple excitations: Theory and applications to FOOF and Cr2
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 94, No. 1 (1991), p. 442-447
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1991
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3
Scuseria, Gustavo E. A coupled cluster study of the classical barrier height of the F+H2→FH+H reaction
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 95, No. 10 (1991), p. 7426-7436
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1991
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4
Scuseria, Gustavo E. Comparison of coupled-cluster results with a hybrid of Hartree–Fock and density functional theory
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 97, No. 10 (1992), p. 7528-7530
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1992
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5
Scuseria, Gustavo E.. The unimolecular triple dissociation of glyoxal: transition-state structures optimized by configuration interaction and coupled cluster methods
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 111, No. 20 (1989), p. 7761-7765
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1989
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6
Scuseria, Gustavo E.. Halocarbenes CHF, CHCl, and CHBr: geometries, singlet-triplet separations, and vibrational frequencies
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 108, No. 12 (1986), p. 3248-3253
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1986
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7
Scuseria, Gustavo E.. Concerted unimolecular triple dissociation of s-tetrazine: transition-state structural optimizations using configuration interaction and coupled cluster methods
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 94, No. 14 (1990), p. 5552-5554
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1990
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8
Scuseria, Gustavo E. The elusive signature of CH<inf>5</inf><sup>+</sup>
in: Nature . - London [u.a.] : Nature Publising Group, ISSN 1476-4687, Vol. 366, No. 6455 (1993), p. 512-513
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1993
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9
Scuseria, Gustavo E.. On the connections between Brueckner-coupled-cluster, density-dependent Hartree-Fock, and density functional theory
in: International Journal of Quantum Chemistry, in: International Journal of Quantum Chemistry . - New York, NY : Wiley, ISSN 0020-7608, ZDB-ID 1475014-4 Vol. 55 (2. 1995), p. 165-171
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1995
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10
Scuseria, Gustavo E. Application of open-shell coupled cluster theory to the ground state of GaAs
in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 80 (2/3. 1991), p. 215-219
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1991
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11
Book, Lewis D.. Isomers of C60H36 and C70H36
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 98, No. 16 (1994), p. 4283-4286
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1994
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12
Murry, Robert L.. Theoretical Study of C90 and C96 Fullerene Isomers
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 98, No. 16 (1994), p. 4212-4214
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1994
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13
Colt, John R.. An ab initio study of the C76 fullerene isomers
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 96, No. 25 (1992), p. 10265-10268
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1992
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14
Tomasic, Zdenko A.. Ab initio theoretical study of the ethynyl radical + carbon monoxide reaction and the HC2CO radical
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 95, No. 18 (1991), p. 6905-6908
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1991
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15
Ernzerhof, Matthias., Scuseria, Gustavo E.. Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 110, No. 11 (1999), p. 5029-5036
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1999
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16
Ernzerhof, Matthias., Scuseria, Gustavo E.. Kinetic energy density dependent approximations to the exchange energy
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 111, No. 3 (1999), p. 911-915
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1999
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17
Adamo, Carlo., Scuseria, Gustavo E.. Accurate excitation energies from time-dependent density functional theory: Assessing the PBE0 model
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 111, No. 7 (1999), p. 2889-2899
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1999
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18
Ernzerhof, Matthias., Scuseria, Gustavo E.. The slowly-varying noninteracting electron gas in terms of its kinetic energy density
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 112, No. 12 (2000), p. 5270-5274
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2000
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19
Németh, Károly., Scuseria, Gustavo E.. Linear scaling density matrix search based on sign matrices
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 113, No. 15 (2000), p. 6035-6041
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2000
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20
Imamura, Yutaka., Scuseria, Gustavo E.. A new correlation functional based on analysis of the Colle–Salvetti functional
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 116, No. 15 (2002), p. 6458-6467
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2002