Tetrahydrides of third-row transition elements: Spin-orbit coupling effects on the stability of rhenium tetrahydride

Journal of Chemical Physics

Volumn 133, Issue 17, 2010, Pages

  Koseki, Shiro ^a   Hisashima, Taka Aki ^a   Asada, Toshio ^a   Toyota, Azumao ^b   Matsunaga, Nikita ^c  

^a Osaka Prefecture University   (Japan)

^b YAMAGATA UNIVERSITY   (Japan)

^c LONG ISLAND UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; DISSOCIATION LIMIT; DISSOCIATION REACTIONS; DYNAMIC CORRELATION; EFFECTIVE CORE POTENTIAL; ELECTRONIC TRANSITION; ENERGY CROSSING; F-FUNCTION; FORBIDDEN TRANSITIONS; HYDROGEN ATOMS; LOW-LYING STATE; MIXED STATE; MULTI REFERENCE; MULTICONFIGURATION SELF-CONSISTENT FIELDS; P-FUNCTION; QUARTET STATE; RELATIVISTIC EFFECTS; SECOND ORDERS; SEXTET STATE; SPIN-ORBIT COUPLING EFFECTS; SPIN-ORBIT COUPLINGS; STABLE STRUCTURES; TRANSITION ELEMENT; TRANSITION STATE;

ATOMS; DISSOCIATION; HEAVY METAL COMPOUNDS; HEAVY METALS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; RHENIUM; SURFACE PHENOMENA; TRANSITION METALS;

RHENIUM COMPOUNDS;

EID: 78650676107     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3495680     Document Type: Article

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