Gauge-including atomic orbital proton chemical shifts of strong hydrogen bonds: The importance of electron correlation

Journal of Physical Chemistry A

Volumn 105, Issue 19, 2001, Pages 4708-4715

  Barich, Dewey H ^a   Nicholas, John B ^b   Haw, James F ^c  

^a TEXAS A AND M UNIVERSITY   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; ELECTRONS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTONS;

GAUGE-INCLUDING ATOMIC ORBITAL (GIAO);

HYDROGEN BONDS;

EID: 0035902305     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp004118d     Document Type: Article

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