High-level ab initio calculations on low barrier hydrogen bonds and proton bound homodimers

Chemical Physics Letters

Volumn 493, Issue 1-3, 2010, Pages 37-44

  Grabowski, Sławomir J ^a,b   Ugalde, Jesus M ^a  

^a UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^b BASQUE FOUNDATION FOR SCIENCE   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; CCSD; HIGH-LEVEL AB INITIO CALCULATIONS; HOMODIMERS; LOW BARRIER HYDROGEN BONDS;

HYDROGEN; PROTONS; QUANTUM CHEMISTRY;

HYDROGEN BONDS;

EID: 77954214796     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.05.008     Document Type: Article

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