Ab initio calculation of parity-violating potential energy hypersurfaces of chiral molecules

International Journal of Quantum Chemistry

Volumn 99, Issue 4, 2004, Pages 393-407

  Bakasov, Ayaz ^a   Berger, Robert ^a,b   Ha, Tae Kyu ^a   Quack, Martin ^a  

^a ETH ZURICH   (Switzerland)

^b TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

Author keywords

Ab initio calculation; Chiral molecules; Hydrogen peroxide H2O2; Hydrogen persulfide H2s2; Parity violation

Indexed keywords

CHEMICAL BONDS; HYDROGEN PEROXIDE; MOLECULAR VIBRATIONS; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; STEREOCHEMISTRY;

AB INITIO CALCULATION; CHIRAL MOLECULES; HYDROGEN PERSULFIDE H2S2; PARITY VIOLATION;

QUANTUM THEORY;

EID: 4344565065     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20048     Document Type: Conference Paper

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