Observation of a remarkable temperature effect in the hydrogen bonding structure and dynamics of the CN-(H2O) cluster

Journal of Physical Chemistry A

Volumn 113, Issue 35, 2009, Pages 9579-9584

  Wang, Xue Bin ^a,d   Werhahn, Jasper C ^b,d   Wang, Lai Sheng ^a,d   Kowalski, Karol ^c,d   Laubereau, Alfred ^b,d   Xantheas, Sotiris S ^b,d  

^a WASHINGTON STATE UNIVERSITY   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^c PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^d TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AB-INITIO ELECTRONIC STRUCTURE CALCULATIONS; BLUE SHIFT; CCSD; ELECTRON BINDING ENERGY; HYDROGEN BONDING STRUCTURES; MINIMUM ENERGY; ROOM TEMPERATURE; SPECTRAL SHIFT; STRUCTURE AND DYNAMICS; TEMPERATURE EFFECTS; THEORETICAL STUDY; TRANSITION STATE;

BINDING ENERGY; ELECTRONIC STRUCTURE; HYDROGEN; HYDROGEN BONDS; ISOMERS; PHOTOELECTRON SPECTROSCOPY; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; TEMPERATURE;

THERMAL EFFECTS;

EID: 69549086676     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9034002     Document Type: Article

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