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

Department of Chemistry

Research output: Contribution to journal › Article › Research

Original language	English
Pages (from-to)	947-956
Journal	Physical Chemistry Chemical Physics
Volume	1
Publication status	Published - 1 Jan 1999

Cite this

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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, p. 947-956.

Research output: Contribution to journal › Article › Research

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

VL - 1

SP - 947

EP - 956

ER -