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-Reference-Cited by-同舟云学术

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

Published:1997-10 Issue:1-2 Volume:417 Page:89-94
ISSN:0166-1280
Container-title:Journal of Molecular Structure: THEOCHEM
language:en
Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

Jursic Branko S.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

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