Strategies and Applications in Quantum Chemistry - Topics in Molecular Organization and Engineering
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31

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Published By Springer Netherlands

9780792338376, 9780306469305

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Molecular Orbital Electronegativity as Electron Chemical Potential in Semiempirical SCF Schemes

Strategies and Applications in Quantum Chemistry - Topics in Molecular Organization and Engineering ◽

10.1007/0-306-46930-8_8 ◽

1996 ◽

pp. 119-126

Author(s):

G. Del Re

Keyword(s):

Molecular Orbital ◽

Chemical Potential

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Quantum Chemistry in Front of Symmetry-breakings

Strategies and Applications in Quantum Chemistry - Topics in Molecular Organization and Engineering ◽

10.1007/0-306-46930-8_7 ◽

1996 ◽

pp. 103-118 ◽

Author(s):

J. P. Malrieu ◽

J. P. Daudey

Keyword(s):

Quantum Chemistry ◽

Symmetry Breakings

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Ab initio Calculations on Muonium Adducts of Fullerenes

Strategies and Applications in Quantum Chemistry - Topics in Molecular Organization and Engineering ◽

10.1007/0-306-46930-8_31 ◽

1996 ◽

pp. 441-456

Author(s):

T. A. Claxton

Keyword(s):

Ab Initio Calculations ◽

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Convergence of Expansions in a Gaussian Basis

Strategies and Applications in Quantum Chemistry - Topics in Molecular Organization and Engineering ◽

10.1007/0-306-46930-8_6 ◽

1996 ◽

pp. 79-101 ◽

Author(s):

W. Kutzelnigg

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Investigation of Photochemical Paths by a Combined Theoretical and Experimental Approach

Strategies and Applications in Quantum Chemistry - Topics in Molecular Organization and Engineering ◽

10.1007/0-306-46930-8_27 ◽

1996 ◽

pp. 379-399 ◽

Author(s):

F. Momicchioli ◽

I. Baraldi ◽

A. Carnevali ◽

G. Ponterini

Keyword(s):

Experimental Approach

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An ab initio Study of the Magnetic Properties of the Isoelectronic Series BeH−, BH, CH+ and MgH−, AlH, SiH+

Strategies and Applications in Quantum Chemistry - Topics in Molecular Organization and Engineering ◽

10.1007/0-306-46930-8_22 ◽

1996 ◽

pp. 313-318

Author(s):

M. Nait Achour ◽

A. Boucekkine ◽

R. Lissillour

Keyword(s):

Magnetic Properties ◽

Ab Initio ◽

Ab Initio Study ◽

Isoelectronic Series

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Second Order Static Hyperpolarizabilities of Insaturated Polymers

Strategies and Applications in Quantum Chemistry - Topics in Molecular Organization and Engineering ◽

10.1007/0-306-46930-8_21 ◽

1996 ◽

pp. 297-311

Author(s):

D. Hammoutene ◽

G. Boucekkine ◽

A. Boucekkine

Keyword(s):

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CI Calculations of Miscellaneous Spectroscopic Observables for the PN X1Σ, A1Π and 1Δ States

Strategies and Applications in Quantum Chemistry - Topics in Molecular Organization and Engineering ◽

10.1007/0-306-46930-8_23 ◽

1996 ◽

pp. 319-332

Author(s):

G. de Brouckere

Keyword(s):

Ci Calculations

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C3H2: A Puzzling Interstellar Small Molecule

Strategies and Applications in Quantum Chemistry - Topics in Molecular Organization and Engineering ◽

10.1007/0-306-46930-8_28 ◽

1996 ◽

pp. 401-419

Author(s):

F. Pauzat ◽

D. Talbi

Keyword(s):

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Theory of Orbital Optimisation in SCF and MCSCF Calculations

Strategies and Applications in Quantum Chemistry - Topics in Molecular Organization and Engineering ◽

10.1007/0-306-46930-8_2 ◽

1996 ◽

pp. 19-37

Author(s):

C. Chavy ◽

J. Ridard ◽

B. Levy

Keyword(s):

Scf And Mcscf Calculations

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