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Volumn 116, Issue 1, 2002, Pages 112-122

Three-versus four-coordinate phosphorus in the gas phase and in solution: Treacherous relative energies for phosphine oxide and phosphinous acid

(6) Wesolowski, Steven S a,b Brinkmann, Nicole R b Valeev, Edward F b Schaefer III, Henry F b Repasky, Matthew P a Jorgensen, William L a

a YALE UNIVERSITY (United States)

b UNIVERSITY OF GEORGIA (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTRONIC STRUCTURE; EXTRAPOLATION; FINITE DIFFERENCE METHOD; HYDROGEN BONDS; ISOMERIZATION; ISOMERS; MONTE CARLO METHODS; OXIDES; PERTURBATION TECHNIQUES; PHASE COMPOSITION; SOLUTIONS;

CORE POLARIZATION EFFECT; FOCAL POINT ANALYSES; FREE ENERGY PERTURBATION; GAS PHASE; PHOSPHINE OXIDE; PHOSPHINOUS ACID; SOLVATION;

PHOSPHORUS;

EID: 0036140619 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1418440 Document Type: Article

Times cited : (29)

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