Valence orbital response to pseudorotation of tetrahydrofuran: A snapshot using dual space analysis

Journal of Chemical Physics

Volumn 128, Issue 12, 2008, Pages

  Duffy, Patrick ^a   Sordo, Joś A ^b   Wang, Feng ^c  

^a KWANTLEN POLYTECHNIC UNIVERSITY   (Canada)

^b UNIVERSITY OF OVIEDO   (Spain)

^c SWINBURNE UNIVERSITY OF TECHNOLOGY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; IONIZATION; MATHEMATICAL MODELS;

DUAL SPACE ANALYSIS; PSEUDOROTATION; VALENCE ORBITAL RESPONSE;

SULFUR COMPOUNDS;

FURAN DERIVATIVE; TETRAHYDROFURAN;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY; ROTATION;

COMPUTER SIMULATION; FURANS; MODELS, CHEMICAL; MODELS, MOLECULAR; QUANTUM THEORY; ROTATION;

EID: 41549120622     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2838852     Document Type: Article

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