A complete active space self-consistent field (CASSCF) ab initio study of phenol-N-2: the properties of a weak hydrogen-bonded system in its S-1 excited state

MJ Watkins; K Muller-Dethlefs; MCR Cockett

A complete active space self-consistent field (CASSCF) ab initio study of phenol-N-2: the properties of a weak hydrogen-bonded system in its S-1 excited state

MJ Watkins, K Muller-Dethlefs, MCR Cockett

Research output: Contribution to journal › Article › peer-review

Original language	English
Journal	Physical Chemistry Chemical Physics
Volume	2 (24)
Publication status	Published - 2000

Cite this

@article{6bcaea7d09da414cbdcbe63b041e68c1,

title = "A complete active space self-consistent field (CASSCF) ab initio study of phenol-N-2: the properties of a weak hydrogen-bonded system in its S-1 excited state",

author = "MJ Watkins and K Muller-Dethlefs and MCR Cockett",

year = "2000",

language = "English",

volume = "2 (24)",

journal = "Physical Chemistry Chemical Physics",

issn = "1463-9076",

publisher = "Royal Society of Chemistry",

}

TY - JOUR

T1 - A complete active space self-consistent field (CASSCF) ab initio study of phenol-N-2: the properties of a weak hydrogen-bonded system in its S-1 excited state

AU - Watkins, MJ

AU - Muller-Dethlefs, K

AU - Cockett, MCR

PY - 2000

Y1 - 2000

M3 - Article

SN - 1463-9076

VL - 2 (24)

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

ER -