Artículo

An exploratory conformational analysis of 3-mercapto-propanamide and 2-methyl-3-mercapto-propanamide as well as their S-deprotonated conjugate basis: An ab initio study

Torday, László L.; Penke, Botond; Zamarbide, Graciela Nidia; Enriz, Ricardo DanielIcon ; Papp, Julius Gy
Fecha de publicación: 25/08/2000
Editorial: Elsevier Science
Revista: Journal of Molecular Structure Theochem
ISSN: 0166-1280
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:

Resumen

Ab initio conformational analysis has been carried out on 3-mercapto-propanamide, (R)- and (S)-2-methyl-3-mercaptopropanamide as well as their S-deprotonated conjugate basis. They were carried out at the HF/3-21G level of theory. The topology of the conformational potential energy surfaces and hypersurfaces have been analysed.
Palabras clave: (R)- AND (S)-2-METHYL-3-MERCAPTO-PROPANAMIDE , 3-MERCAPTO-PROPANAMIDE , S-DEPROTONATED CONJUGATE BASIS
 
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info:eu-repo/semantics/openAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
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URI: http://hdl.handle.net/11336/134970
URL: https://www.sciencedirect.com/science/article/abs/pii/S0166128000003171
DOI: http://dx.doi.org/10.1016/S0166-1280(00)00317-1
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Articulos(IMIBIO-SL)
Articulos de INST. MULTIDICIPLINARIO DE INV. BIO. DE SAN LUIS
Citación
Torday, László L.; Penke, Botond; Zamarbide, Graciela Nidia; Enriz, Ricardo Daniel; Papp, Julius Gy; An exploratory conformational analysis of 3-mercapto-propanamide and 2-methyl-3-mercapto-propanamide as well as their S-deprotonated conjugate basis: An ab initio study; Elsevier Science; Journal of Molecular Structure Theochem; 528; 1-3; 25-8-2000; 307-317
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