A theoretical study of nonlinearity in heterocyclic hydrogen-bonded complexes

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 61, Issue 3, 2005, Pages 491-494

  Oliveira, B G ^a   Duarte, E M ^a   Araujo R C M U ^a   Ramos, M N ^b   Carvalho, A B ^a  

^a FEDERAL UNIVERSITY OF PARAÍBA   (Brazil)

^b FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

Author keywords

DFT B3LYP; Heterocyclic; Hydrogen bonding; MP2; Nonlinearity

Indexed keywords

COMPLEXATION; HYDROGEN BONDS; MICROWAVES; OPTIMIZATION; SPECTROSCOPIC ANALYSIS;

HYDROGEN-BONDED COMPLEXES; MONOPROTIC ACIDS; VIBRATIONAL ENERGY;

ORGANIC COMPOUNDS;

HETEROCYCLIC COMPOUND;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTROCHEMISTRY; HYDROGEN BOND; SPECTROSCOPY;

ELECTROCHEMISTRY; HETEROCYCLIC COMPOUNDS; HYDROGEN BONDING; MOLECULAR STRUCTURE; SPECTRUM ANALYSIS;

EID: 10644232948     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2004.04.023     Document Type: Article

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