Ab initio structural and vibrational investigation of sulfuric acid monohydrate

Journal of Physical Chemistry A

Volumn 116, Issue 11, 2012, Pages 2867-2879

  Partanen, Lauri ^a   Hänninen, Vesa ^a   Halonen, Lauri ^a  

^a UNIVERSITY OF HELSINKI   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO METHOD; ANHARMONIC; BASIS SETS; CCSD; COUPLED-CLUSTER APPROACH; GEOMETRY OPTIMIZATION; LARGE-AMPLITUDE MOTION; LOCAL SPIN; PERTURBATION THEORY; PERTURBATIVE TRIPLE EXCITATIONS; POTENTIAL ENERGY MINIMA; SECOND ORDERS; STRETCHING VIBRATIONS; VIBRATIONAL DEGREES OF FREEDOM; VIBRATIONAL PROBLEMS; VIBRATIONAL WAVENUMBERS; WAVE NUMBERS;

POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; STRETCHING;

SULFURIC ACID;

EID: 84858783587     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp210489f     Document Type: Conference Paper

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