Spectroscopic and molecular structure (monomeric and dimeric structure) investigation of 2-[(2-hydroxyphenyl) carbonyloxy] benzoic acid by DFT method: A combined experimental and theoretical study

Journal of Molecular Structure

Volumn 1038, Issue , 2013, Pages 145-162

  Muthu, S ^a   Isac Paulraj, E ^b,c  

^a SRI VENKATESWARA COLLEGE OF ENGINEERING   (India)

^b MANONMANIAM SUNDARANAR UNIVERSITY   (India)

^c Pallavan College of Engineering   (India)

Author keywords

DFT; Fukui functions; Hyperpolarizability; NBO; PES

Indexed keywords

DFT; FUKUI FUNCTIONS; HYPER-POLARIZABILITY; NBO; PES;

AROMATIC POLYMERS; BENZOIC ACID; ELECTRONIC PROPERTIES; HYDROGEN BONDS; MOLECULAR STRUCTURE; MOLECULES; QUANTUM THEORY;

DIMERS;

EID: 84873707408     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2013.01.043     Document Type: Article

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