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Volumn 116, Issue 28, 2012, Pages 14960-14969

Computational study of the vibrational structure of the ammonia molecule adsorbed on the fcc (111) transition metal surfaces

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; AMMONIA MOLECULES; ANHARMONIC; AU(1 1 1 ); BENDING POTENTIAL; BLUE SHIFT; COMPUTATIONAL STUDIES; CU(1 1 1); EIGENVALUE PROBLEM; EXPERIMENTAL OBSERVATION; IR(111); KINETIC-ENERGY OPERATOR; LOCAL DENSITY; LONE PAIR; PLANAR STRUCTURE; PLANE WAVE DENSITY FUNCTIONAL THEORY; PT(111); RED SHIFT; SPLITTINGS; TRANSITION METAL SURFACES; VIBRATIONAL ENERGY LEVELS; VIBRATIONAL HAMILTONIAN; VIBRATIONAL STRUCTURES; WAVE NUMBERS;

EID: 84863910416     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp303955z     Document Type: Article
Times cited : (16)

References (81)
  • 55
    • 84863916608 scopus 로고    scopus 로고
    • See http://p4vasp.at for details.
  • 64
    • 0004062749 scopus 로고    scopus 로고
    • version 8.0; Wolfram Research, Inc. Champaign, IL
    • Mathematica, version 8.0; Wolfram Research, Inc.: Champaign, IL, 2010.
    • (2010) Mathematica


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.