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Results: 1-8 |
Results: 8
Problematic p-benzyne: Orbital instabilities, biradical character, and broken symmetry
Authors: Crawford, TD Kraka, E Stanton, JF Cremer, D
Citation: Td. Crawford et al., Problematic p-benzyne: Orbital instabilities, biradical character, and broken symmetry, J CHEM PHYS, 114(24), 2001, pp. 10638-10650
Thermokinetic proton transfer and ab initio studies of the [2H,S,O](+) system. The proton affinity of HSO
Authors: Decker, BK Adams, NG Babcock, LM Crawford, TD Schaefer, HF
Citation: Bk. Decker et al., Thermokinetic proton transfer and ab initio studies of the [2H,S,O](+) system. The proton affinity of HSO, J PHYS CH A, 104(19), 2000, pp. 4636-4647
An introduction to coupled cluster theory for computational chemists
Authors: Crawford, TD Schaefer, HF
Citation: Td. Crawford et Hf. Schaefer, An introduction to coupled cluster theory for computational chemists, REV COMP CH, 14, 2000, pp. 33-136
Some surprising failures of Brueckner coupled cluster theory
Authors: Crawford, TD Stanton, JF
Citation: Td. Crawford et Jf. Stanton, Some surprising failures of Brueckner coupled cluster theory, J CHEM PHYS, 112(18), 2000, pp. 7873-7879
A new diagnostic for open-shell coupled-cluster theory
Authors: Leininger, ML Nielsen, IMB Crawford, TD Janssen, CL
Citation: Ml. Leininger et al., A new diagnostic for open-shell coupled-cluster theory, CHEM P LETT, 328(4-6), 2000, pp. 431-436
Rotational spectrum and theoretical structure of the carbene HC4N
Authors: McCarthy, MC Apponi, AJ Gordon, VD Gottlieb, CA Thaddeus, P Crawford, TD Stanton, JF
Citation: Mc. Mccarthy et al., Rotational spectrum and theoretical structure of the carbene HC4N, J CHEM PHYS, 111(15), 1999, pp. 6750-6754
Structure and energetics of isomers of the interstellar molecule C5H
Authors: Crawford, TD Stanton, JF Saeh, JC Schaefer, HF
Citation: Td. Crawford et al., Structure and energetics of isomers of the interstellar molecule C5H, J AM CHEM S, 121(9), 1999, pp. 1902-1911
Conformations of [10]annulene: More bad news for density functional theoryand second-order perturbation theory
Authors: King, RA Crawford, TD Stanton, JF Schaefer, HF
Citation: Ra. King et al., Conformations of [10]annulene: More bad news for density functional theoryand second-order perturbation theory, J AM CHEM S, 121(46), 1999, pp. 10788-10793
Risultati: 1-8 |