Ab initio study on structures and vibrational spectra of M +(H2O)Ar2 (M = Cu, Au)

Molecular Physics

Volumn 109, Issue 3, 2011, Pages 351-357

  Song, Xiudan ^a,b   Zhao, Yongfang ^a   Zhang, Guohua ^a   Zhang, Pingxia ^a  

^a HARBIN INSTITUTE OF TECHNOLOGY   (China)

^b HEILONGJIANG UNIVERSITY   (China)

Author keywords

binding energies; infrared spectra; isomers; M+(H2O)Ar2(M = Cu, Au) complexes

Indexed keywords

AB INITIO STUDY; AB-INITIO ELECTRONIC STRUCTURE CALCULATIONS; AR ATOM; AU SPECIES; CCSD CALCULATIONS; GEOMETRICAL STRUCTURE; INFRARED SPECTRA; INTERACTION ENERGIES; IR SPECTRUM; ISOMERIC STRUCTURES; M+(H2O)AR2(M = CU, AU) COMPLEXES; PHOTON ENERGY;

ATOMS; BINDING ENERGY; BINDING SITES; BIOCHEMISTRY; COMPLEXATION; ELECTRONIC STRUCTURE; ISOMERS; NUCLEAR ENERGY; PHOTONS; POTENTIAL ENERGY;

ATOMIC SPECTROSCOPY;

EID: 79951730627     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2010.521782     Document Type: Article

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