Orbital SCF energies in the double proton transfer of the adenine-thymine base pair

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The double-minimum potential generated by the proton motion involved in the two hydrogen bonds of the adenine-thymine base pair can be accounted for through the orbital-energy spectrum. The results show that the greatest interaction between the molecular orbitals is found when the interprotonic dist...

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Detalles Bibliográficos
Autores principales:	Marañón, Julio, Grinberg, H.
Formato:	Articulo
Lenguaje:	Inglés
Publicado:	1983
Materias:	Física Ciencias Exactas double-minimum potential double proton transfer
Acceso en línea:	http://sedici.unlp.edu.ar/handle/10915/139478
Aporte de:	SEDICI (UNLP) de Universidad Nacional de La Plata

id	I19-R120-10915-139478
record_format	dspace
institution	Universidad Nacional de La Plata
institution_str	I-19
repository_str	R-120
collection	SEDICI (UNLP)
language	Inglés
topic	Física Ciencias Exactas double-minimum potential double proton transfer
spellingShingle	Física Ciencias Exactas double-minimum potential double proton transfer Marañón, Julio Grinberg, H. Orbital SCF energies in the double proton transfer of the adenine-thymine base pair
topic_facet	Física Ciencias Exactas double-minimum potential double proton transfer
description	The double-minimum potential generated by the proton motion involved in the two hydrogen bonds of the adenine-thymine base pair can be accounted for through the orbital-energy spectrum. The results show that the greatest interaction between the molecular orbitals is found when the interprotonic distance of the protons is optimum,i.e. at the top of the barrier of the double-minimum potential. This raises the question of charge transfer electronic transitions as a possibility of modelling the behaviour of the double proton transfer in the excited states of this base pair.
format	Articulo Articulo
author	Marañón, Julio Grinberg, H.
author_facet	Marañón, Julio Grinberg, H.
author_sort	Marañón, Julio
title	Orbital SCF energies in the double proton transfer of the adenine-thymine base pair
title_short	Orbital SCF energies in the double proton transfer of the adenine-thymine base pair
title_full	Orbital SCF energies in the double proton transfer of the adenine-thymine base pair
title_fullStr	Orbital SCF energies in the double proton transfer of the adenine-thymine base pair
title_full_unstemmed	Orbital SCF energies in the double proton transfer of the adenine-thymine base pair
title_sort	orbital scf energies in the double proton transfer of the adenine-thymine base pair
publishDate	1983
url	http://sedici.unlp.edu.ar/handle/10915/139478
work_keys_str_mv	AT maranonjulio orbitalscfenergiesinthedoubleprotontransferoftheadeninethyminebasepair AT grinbergh orbitalscfenergiesinthedoubleprotontransferoftheadeninethyminebasepair
bdutipo_str	Repositorios
_version_	1764820457827074049

Orbital SCF energies in the double proton transfer of the adenine-thymine base pair

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