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Volumn , Issue 5, 2003, Pages 249-251

Solvent effects on the internal rotation barrier around the C-N bond and 14N NMR shielding of 2-amino-3-mercapto propionamide: Continuous set of gauge transformation calculations using a polarisable continuum model

(3) Shabani, Mohsen a,b Monajjemi, Majid a Aghai, Hossein a

a ISLAMIC AZAD UNIVERSITY (Iran)

b ISLAMIC AZAD UNIVERSITY (Iran)

Author keywords

2 amino 3 mercapto propionamide; Ab initio; Barrier internal energy; NMR shielding; Solvent effect

Indexed keywords

2 AMINO 3 MERCAPTOPROPIONAMIDE; AMIDE; CYSTEINE DERIVATIVE; SOLVENT; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; ENERGY; GAS; GEOMETRY; MATHEMATICAL ANALYSIS; MODEL; NUCLEAR MAGNETIC RESONANCE; PREDICTION; ROTATION; STRUCTURE ANALYSIS;

EID: 0141679192 PISSN: 03082342 EISSN: None Source Type: Journal
DOI: 10.3184/030823403103173840 Document Type: Article

Times cited : (5)

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