The application of Hartree–Fock and configuration interaction calculations to transition metal nitrosyls

Richard F. Fenske; J. Robert Jensen

doi:10.1063/1.438726

The application of Hartree–Fock and configuration interaction calculations to transition metal nitrosyls

The Journal of Chemical Physics ◽

10.1063/1.438726 ◽

1979 ◽

Vol 71 (8) ◽

pp. 3374-3382 ◽

Cited By ~ 18

Author(s):

Richard F. Fenske ◽

J. Robert Jensen

Keyword(s):

Transition Metal ◽

Configuration Interaction ◽

Hartree Fock ◽

Configuration Interaction Calculations ◽

Metal Nitrosyls

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ChemInform Abstract: ELECTRONIC STRUCTURE OF TRANSITION-METAL NITROSYLS. Xα-SW AND CONFIGURATION INTERACTION CALCULATIONS OF THE VALENCE IONIZATION POTENTIALS OF TRICARBONYLNITROSYLCOBALT AND TETRACARBONYLNITROSYLMANGANESE

Chemischer Informationsdienst ◽

10.1002/chin.198149071 ◽

1981 ◽

Vol 12 (49) ◽

Author(s):

B. E. BURSTEN ◽

J. R. JENSEN ◽

D. J. GORDON ◽

P. M. TREICHEL ◽

R. F. FENSKE

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Configuration Interaction ◽

Ionization Potentials ◽

Configuration Interaction Calculations ◽

Metal Nitrosyls

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Electronic structure of transition-metal nitrosyls. X.alpha.-SW and configuration interaction calculations of the valence ionization potentials of tricarbonylnitrosylcobalt and tetracarbonylnitrosylmanganese

Journal of the American Chemical Society ◽

10.1021/ja00407a046 ◽

1981 ◽

Vol 103 (17) ◽

pp. 5226-5231 ◽

Cited By ~ 15

Author(s):

Bruce E. Bursten ◽

J. Robert Jensen ◽

Douglas J. Gordon ◽

Paul M. Treichel ◽

Richard F. Fenske

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Configuration Interaction ◽

Ionization Potentials ◽

Configuration Interaction Calculations ◽

Metal Nitrosyls

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Application of diophantine integration to hartree-fock and configuration interaction calculations

International Journal of Quantum Chemistry ◽

10.1002/qua.560020706 ◽

2009 ◽

Vol 2 (S2) ◽

pp. 35-42 ◽

Cited By ~ 74

Author(s):

D. E. Ellis

Keyword(s):

Configuration Interaction ◽

Hartree Fock ◽

Configuration Interaction Calculations

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Coupled Hartree–Fock and finite perturbation–configuration interaction calculations of nuclear spin–spin coupling constants in the second‐row hydrides

The Journal of Chemical Physics ◽

10.1063/1.441362 ◽

1981 ◽

Vol 74 (4) ◽

pp. 2412-2415 ◽

Cited By ~ 27

Author(s):

Jozef Kowalewski ◽

Aatto Laaksonen ◽

Victor R. Saunders

Keyword(s):

Configuration Interaction ◽

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Hartree Fock ◽

Finite Perturbation ◽

Spin Coupling Constants ◽

Spin Spin Coupling ◽

Configuration Interaction Calculations

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Evaluation of magnetic terms in Cu4O4 cubane-like systems from selected configuration interaction calculations: A case study of polynuclear transition-metal systems

The Journal of Chemical Physics ◽

10.1063/1.3659141 ◽

2011 ◽

Vol 135 (19) ◽

pp. 194704 ◽

Cited By ~ 21

Author(s):

Carmen J. Calzado ◽

Daniel Maynau

Keyword(s):

Transition Metal ◽

Configuration Interaction ◽

Configuration Interaction Calculations

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Multi-reference Hartree-Fock configuration interaction calculations of LiH and Be using a new double-zeta atomic base

Journal of Molecular Modeling ◽

10.1007/s00894-014-2382-6 ◽

2014 ◽

Vol 20 (8) ◽

Cited By ~ 1

Author(s):

Antonio Moreira de Cerqueira Sobrinho ◽

Micael Dias de Andrade ◽

Marco Antônio Chaer Nascimento ◽

Luiz Augusto Carvalho Malbouisson

Keyword(s):

Configuration Interaction ◽

Hartree Fock ◽

Double Zeta ◽

Configuration Interaction Calculations

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An investigation of Hartree-Fock calculations on some d 8 and d 10 transition metal nitrosyls

Theoretica Chimica Acta ◽

10.1007/bf00549022 ◽

1978 ◽

Vol 48 (3) ◽

pp. 241-249 ◽

Cited By ~ 5

Author(s):

J. Robert Jensen ◽

Richard F. Fenske

Keyword(s):

Transition Metal ◽

Hartree Fock ◽

Metal Nitrosyls

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Fully relativistic pseudopotentials for alkaline atoms: Dirac-Hartree-Fock and configuration interaction calculations of alkaline monohydrides

Theoretica Chimica Acta ◽

10.1007/bf01113348 ◽

1996 ◽

Vol 93 (3) ◽

pp. 141-156 ◽

Cited By ~ 8

Author(s):

M. Dolg

Keyword(s):

Configuration Interaction ◽

Hartree Fock ◽

Configuration Interaction Calculations ◽

Relativistic Pseudopotentials

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Hartree-Fock limit and configuration interaction calculations of the ion-molecule overlap amplitude for hydrogen fluoride: Comparison with EMS experiments

Chemical Physics ◽

10.1016/0301-0104(90)85019-s ◽

1990 ◽

Vol 147 (1) ◽

pp. 45-50 ◽

Cited By ~ 12

Author(s):

E.R. Davidson ◽

D. Feller ◽

C.M. Boyle ◽

Ludwik Adamowicz ◽

S.A.C. Clark ◽

...

Keyword(s):

Hydrogen Fluoride ◽

Configuration Interaction ◽

Hartree Fock ◽

Configuration Interaction Calculations

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Large-scale Multiconfiguration Dirac–Hartree–Fock and Relativistic Configuration Interaction Calculations of Transition Data for B-like S xii

The Astrophysical Journal ◽

10.3847/1538-4357/aad5dc ◽

2018 ◽

Vol 864 (2) ◽

pp. 127 ◽

Cited By ~ 2

Author(s):

Kai Wang ◽

Chang Xian Song ◽

Per Jönsson ◽

Jörgen Ekman ◽

Michel Godefroid ◽

...

Keyword(s):

Configuration Interaction ◽

Large Scale ◽

Hartree Fock ◽

Relativistic Configuration ◽

Relativistic Configuration Interaction ◽

Configuration Interaction Calculations

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