SCOPUS 정보 검색 플랫폼

Journal of Computational Chemistry

Volumn 34, Issue 5, 2013, Pages 337-345

Accurate Ab initio potential energy surface and vibration-rotation energy levels of hydrogen peroxide

(2) Małyszek, Paweł a Koput, Jacek a

a ADAM MICKIEWICZ UNIVERSITY (Poland)

Author keywords

hydrogen peroxide; potential energy surface; spectroscopic constants; structure

Indexed keywords

AB INITIO CALCULATIONS; AB INITIO POTENTIAL ENERGY SURFACE; ADIABATIC EFFECT; BASIS SETS; CORRELATION EFFECT; COUPLED-CLUSTER APPROACH; COUPLED-CLUSTER METHODS; ISOTOPOLOGUES; SPECTROSCOPIC CONSTANTS; VIBRATIONAL FUNDAMENTALS; WAVE NUMBERS;

CALCULATIONS; ELECTRON CORRELATIONS; HYDROGEN PEROXIDE; NUMERICAL METHODS; POTENTIAL ENERGY SURFACES; STRUCTURE (COMPOSITION);

QUANTUM CHEMISTRY;

HYDROGEN PEROXIDE;

ARTICLE; CHEMISTRY; QUANTUM THEORY; ROTATION; SURFACE PROPERTY; VIBRATION;

HYDROGEN PEROXIDE; QUANTUM THEORY; ROTATION; SURFACE PROPERTIES; VIBRATION;

EID: 84872845589 PISSN: 01928651 EISSN: 1096987X Source Type: Journal
DOI: 10.1002/jcc.23137 Document Type: Article

Times cited : (32)

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