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Volumn 117, Issue 4, 2002, Pages 1692-1699

Ab initio calculation of hydrogen bonds in liquids: A sequential Monte Carlo quantum mechanics study of pyridine in water

(3) Malaspina, Thaciana a Coutinho, Kaline b Canuto, Sylvio a

a UNIVERSITY OF SÃO PAULO (Brazil)

b UNIVERSIDADE DE MOGI DAS CRUZES (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; COMPUTER SIMULATION; HYDROGEN BONDS; MONTE CARLO METHODS; WATER;

AUTOCORRELATION FUNCTIONS;

QUANTUM THEORY;

EID: 84962439312 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1485963 Document Type: Article

Times cited : (97)

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