Dramatic substituent effects on the mechanisms of nucleophilic attack on Se - S bridges

Journal of Computational Chemistry

Volumn 34, Issue 29, 2013, Pages 2537-2547

  Mó, Otilia ^a   Lamsabhi, Al Mokhtar ^a   Yáñez, Manuel ^a   Heverly Coulson, Gavin S ^b   Boyd, Russell J ^c  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^b QUEEN S UNIVERSITY   (Canada)

^c DALHOUSIE UNIVERSITY   (Canada)

Author keywords

bond cleavage; DFT calculations; nucleophilic attack; Se S bridge

Indexed keywords

ACTIVATION BARRIERS; ACTIVATION STRAIN MODEL; BOND CLEAVAGES; DFT CALCULATION; ELECTRONEGATIVE SUBSTITUENTS; INTERACTION ENERGIES; NUCLEOPHILIC ATTACK; S-BRIDGE;

CHEMICAL BONDS; ELECTRONEGATIVITY; ISOMERS; MOLECULAR ORBITALS; SELENIUM COMPOUNDS;

NUCLEOPHILES;

SELENIUM DERIVATIVE; SULFUR DERIVATIVE;

ARTICLE; BOND CLEAVAGE; CHEMISTRY; DFT CALCULATIONS; ISOMERISM; MOLECULAR DYNAMICS; NUCLEOPHILIC ATTACK; SE-S BRIDGE; THERMODYNAMICS;

BOND CLEAVAGE; DFT CALCULATIONS; NUCLEOPHILIC ATTACK; SE-S BRIDGE;

ISOMERISM; MOLECULAR DYNAMICS SIMULATION; SELENIUM COMPOUNDS; SULFUR COMPOUNDS; THERMODYNAMICS;

EID: 84884903781     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23417     Document Type: Article

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