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Journal of Molecular Structure: THEOCHEM

Volumn 417, Issue 1-2, 1997, Pages 89-94

Can hybrid DFT methods correctly compute the potential energy surface formic acid dimerization and proton transfer in the formic acid dimer? A comparison of hybrid DFT computed values with experimental and G1, G2, and G2MP2 generated data

(1) Jursic, Branko S a

a UNIVERSITY OF NEW ORLEANS (United States)

Author keywords

Formic acid dimerization; Hybrid DFT methods; Proton transfer

Indexed keywords

EID: 15444378272 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(97)00060-2 Document Type: Article

Times cited : (45)

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