An analytical potential energy surface of the HClF(2A?) system based on ab initio calculations. Variational transition state theory study of the H + ClF --> F + HCl, Cl + HF and F + HCl --> Cl + HF reactions and their deuterium isotope variants

R. Sayós; J. Hernando; J. Hijazo; M. González

An analytical potential energy surface of the HClF(2A?) system based on ab initio calculations. Variational transition state theory study of the H + ClF --> F + HCl, Cl + HF and F + HCl --> Cl + HF reactions and their deuterium isotope variants

R. Sayós, J. Hernando, J. Hijazo, M. González

Departament de Química

Producció científica: Contribució a revista › Article › Recerca

Idioma original	Anglès
Pàgines (de-a)	947-956
Revista	Physical Chemistry Chemical Physics
Volum	1
Estat de la publicació	Publicada - 1 de gen. 1999

Com citar-ho

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title = "An analytical potential energy surface of the HClF(2A?) system based on ab initio calculations. Variational transition state theory study of the H + ClF --> F + HCl, Cl + HF and F + HCl --> Cl + HF reactions and their deuterium isotope variants",

author = "R. Say{\'o}s and J. Hernando and J. Hijazo and M. Gonz{\'a}lez",

year = "1999",

month = jan,

day = "1",

language = "English",

volume = "1",

pages = "947--956",

}

An analytical potential energy surface of the HClF(2A?) system based on ab initio calculations. Variational transition state theory study of the H + ClF --> F + HCl, Cl + HF and F + HCl --> Cl + HF reactions and their deuterium isotope variants. / Sayós, R.; Hernando, J.; Hijazo, J. et al.
In: Physical Chemistry Chemical Physics, Vol. 1, 01.01.1999, pàg. 947-956.

Producció científica: Contribució a revista › Article › Recerca

TY - JOUR

T1 - An analytical potential energy surface of the HClF(2A?) system based on ab initio calculations. Variational transition state theory study of the H + ClF --> F + HCl, Cl + HF and F + HCl --> Cl + HF reactions and their deuterium isotope variants

AU - Sayós, R.

AU - Hernando, J.

AU - Hijazo, J.

AU - González, M.

PY - 1999/1/1

Y1 - 1999/1/1

M3 - Article

SN - 1463-9076

VL - 1

SP - 947

EP - 956

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

ER -