APPLICATIONS OF A SIMPLE MOLECULAR WAVEFUNCTION .11. EXTENSION OF FSGO METHOD TO OPEN-SHELL TREATMENTS

被引：9

作者：

PAKIARI, AH ^{[1
]}

LINNETT, JW ^{[1
]}

机构：

[1] UNIV CAMBRIDGE,DEPT PHYS CHEM,CAMBRIDGE CB2 1EP,ENGLAND

来源：

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II | 1976年 / 72卷

关键词：

D O I：

10.1039/f29767200641

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：641 / 645

页数：5

共 40 条

[1] APPLICATIONS OF A SIMPLE MOLECULAR WAVEFUNCTION .6. FSGO OPEN-SHELL CALCULATIONS ON FIRST-ROW DIATOMIC MOLECULAR SYSTEMS
BLUSTIN, PH
LINNETT, JW
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1974, 70 (05): : 826 - 836
[2] APPLICATIONS OF A SIMPLE MOLECULAR WAVEFUNCTION .7. FSGO OPEN-SHELL CALCULATIONS ON FIRST-ROW POLYATOMIC HYDRIDES AND HYDRIDE IONS
BLUSTIN, PH
LINNETT, JW
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1975, 71 : 1058 - 1070
[3] APPLICATIONS OF A SIMPLE MOLECULAR WAVEFUNCTION .13. OPEN-SHELL CALCULATIONS FOR HYDROGEN-BRIDGE STRUCTURES
PAKIARI, AH
LINNETT, JW
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1976, 72 : 1288 - 1297
[4] APPLICATIONS OF A SIMPLE MOLECULAR WAVEFUNCTION .5. FLOATING SPHERICAL GAUSSIAN ORBITAL OPEN-SHELL CALCULATIONS - INTRODUCTION
BLUSTIN, PH
LINNETT, JW
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1974, 2 (70): : 327 - 338
[5] APPLICATIONS OF A SIMPLE MOLECULAR WAVEFUNCTION .12. OPEN-SHELL FLOATING SPHERICAL GAUSSIAN ORBITAL CALCULATIONS FOR SOME ATOMS AND IONS
PAKIARI, AH
LINNETT, JW
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1976, 72 : 1281 - 1287
[6] Extension of the fragment molecular orbital method to treat large open-shell systems in solution
Nakata, Hiroya
Fedorov, Dmitri G.
Kitaura, Kazuo
Nakamura, Shinichiro
CHEMICAL PHYSICS LETTERS, 2015, 635 : 86 - 92
[7] Open-Shell Formulation of the Fragment Molecular Orbital Method
Pruitt, Spencer R.
Fedorov, Dmitri G.
Kitaura, Kazuo
Gordon, Mark S.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2010, 6 (01) : 1 - 5
[8] APPLICATIONS OF A SIMPLE MOLECULAR WAVEFUNCTION .8. FSGO CALCULATIONS ON C2 HYDROCARBON RADICALS AND CATIONS
BLUSTIN, PH
LINNETT, JW
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1975, 71 : 1071 - 1081
[9] COMPLEX MOLECULAR-ORBITAL METHOD - OPEN-SHELL THEORY
HENDEKOVIC, J
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1976, 10 (06) : 1025 - 1035
[10] CEPA CALCULATIONS ON OPEN-SHELL MOLECULES .11. THE 2 LOWEST ELECTRONIC STATES OF HEAR+
STAEMMLER, V
ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 1990, 16 (03): : 167 - 173

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