Interpreting vibrational sum-frequency spectra of sulfur dioxide at the air/water interface: A comprehensive molecular dynamics study

Journal of Physical Chemistry B

Volumn 114, Issue 21, 2010, Pages 7245-7249

  Baer, Marcel ^a   Mundy, Christopher J ^b   Chang, Tsun Mei ^c   Tao, Fu Ming ^d   Dang, Liem X ^b  

^a RUHR UNIVERSITY BOCHUM   (Germany)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF WISCONSIN PARKSIDE   (United States)

^d CALIFORNIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; SPECTROSCOPY; SULFUR; SULFUR DIOXIDE; SURFACE STRUCTURE;

AIR/WATER INTERFACES; HYDROGEN BONDINGS; INTERACTION POTENTIALS; MOLECULAR SIMULATIONS; POLARIZABLE MODEL; POTENTIAL MODEL; RESONANCE STRUCTURE; SIMILARITIES AND DIFFERENCES; SIMULATION RESULT; SPECTROSCOPIC DATA; SPECTROSCOPIC PROPERTY; SUM FREQUENCY; VIBRATIONAL SUM-FREQUENCY SPECTROSCOPIES;

DENSITY FUNCTIONAL THEORY;

EID: 77952930679     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp100310s     Document Type: Article

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