The spin-coupled description of phenylenedimethylidene

B  Friis-Jensen; D L  Cooper; S  Rettrup; P B  Karadakov

The spin-coupled description of phenylenedimethylidene

B Friis-Jensen, D L Cooper, S Rettrup, P B Karadakov

Chemistry

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

Abstract

Modern valence bond theory, in its spin-coupled form, is used to describe the bonding in o- and m-phenylenedimethylidenes and, in particular, to rationalize the different relative stabilities of the quintet states and lower spin multiplicities.

Original language	English
Pages (from-to)	3301-3305
Number of pages	5
Journal	JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS
Volume	94
Issue number	22
Publication status	Published - 21 Nov 1998

Keywords

CASSCF WAVE-FUNCTIONS
REPRESENTATIONS
OPTIMIZATION
SYSTEMS

Cite this

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title = "The spin-coupled description of phenylenedimethylidene",

abstract = "Modern valence bond theory, in its spin-coupled form, is used to describe the bonding in o- and m-phenylenedimethylidenes and, in particular, to rationalize the different relative stabilities of the quintet states and lower spin multiplicities.",

keywords = "CASSCF WAVE-FUNCTIONS, REPRESENTATIONS, OPTIMIZATION, SYSTEMS",

author = "B Friis-Jensen and Cooper, {D L} and S Rettrup and Karadakov, {P B}",

year = "1998",

month = nov,

day = "21",

language = "English",

volume = "94",

pages = "3301--3305",

journal = "JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS",

issn = "0956-5000",

publisher = "The Royal Society of Chemistry",

number = "22",

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TY - JOUR

T1 - The spin-coupled description of phenylenedimethylidene

AU - Friis-Jensen, B

AU - Cooper, D L

AU - Rettrup, S

AU - Karadakov, P B

PY - 1998/11/21

Y1 - 1998/11/21

N2 - Modern valence bond theory, in its spin-coupled form, is used to describe the bonding in o- and m-phenylenedimethylidenes and, in particular, to rationalize the different relative stabilities of the quintet states and lower spin multiplicities.

AB - Modern valence bond theory, in its spin-coupled form, is used to describe the bonding in o- and m-phenylenedimethylidenes and, in particular, to rationalize the different relative stabilities of the quintet states and lower spin multiplicities.

KW - CASSCF WAVE-FUNCTIONS

KW - REPRESENTATIONS

KW - OPTIMIZATION

KW - SYSTEMS

M3 - Article

SN - 0956-5000

VL - 94

SP - 3301

EP - 3305

JO - JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS

JF - JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS

IS - 22

ER -