Theoretical investigation of carbon-sulfur triple bonds

Chemistry - A European Journal

Volumn 17, Issue 6, 2011, Pages 1979-1987

  Denis, Pablo A ^a   Iribarne, Federico ^a  

^a UNIVERSIDAD DE LA REPÚBLICA   (Uruguay)

Author keywords

ab initio calculations; bond energy; carbon; density functional calculations; sulfur

Indexed keywords

A-CARBON; AB INITIO CALCULATIONS; BASIS SETS; BOND DISSOCIATION ENERGIES; BOND ENERGIES; CARBENES; CCSD; CONFLICTING EVIDENCE; DENSITY FUNCTIONAL CALCULATIONS; DIABATIC; DOUBLE BONDS; EXPERIMENTAL VALUES; FIRST PRINCIPLE CALCULATIONS; LINEAR STRUCTURES; SINGLET STATE; SINGLET-TRIPLET; SPLITTINGS; THEORETICAL INVESTIGATIONS; TRIPLE BONDS; TRIPLET STATE;

CALCULATIONS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; MOLECULES; ORGANIC COMPOUNDS; SULFUR;

DISSOCIATION;

CARBENE; CARBON; DRUG DERIVATIVE; METHANE; SULFUR;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; THERMODYNAMICS;

CARBON; METHANE; MODELS, CHEMICAL; MOLECULAR CONFORMATION; SULFUR; THERMODYNAMICS;

EID: 79551490516     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201002840     Document Type: Article

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