Theoretical Chemistry Accounts,volume 111,issue 1  (02-2014)

Period of time： 2014年1期

Publisher： Springer Publishing Company

Founded in： 1962

Total resources： 25

ISSN： 1432-881X

Subject： O6 Chemistry

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Theoretical Chemistry Accounts,volume 111,issue 1

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Correlation factor approach to the correlation energy functional

By Pastor-Abia L. in (2004)

Theoretical Chemistry Accounts,volume 111,issue 1 , Vol. 111, Iss. 1, 2004-02 , pp. 1-17

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Systematic convergence of energies with respect to basis set and treatment of electron correlation: focal-point conformational analysis of methanol

By Kahn K. in (2004)

Theoretical Chemistry Accounts,volume 111,issue 1 , Vol. 111, Iss. 1, 2004-02 , pp. 18-24

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Subshell-pair interelectronic angles of atoms

By Matsuyama H. in (2004)

Theoretical Chemistry Accounts,volume 111,issue 1 , Vol. 111, Iss. 1, 2004-02 , pp. 25-30

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Karplus-type relationships between scalar coupling constants: 3 J HH molecular versus 4h J HH supramolecular coupling constants

By Alkorta Ibon in (2004)

Theoretical Chemistry Accounts,volume 111,issue 1 , Vol. 111, Iss. 1, 2004-02 , pp. 31-35

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Modeling of serine protease prototype reactions with the flexible effective fragment potential quantum mechanical/molecular mechanical method

By Nemukhin A. V. in (2004)

Theoretical Chemistry Accounts,volume 111,issue 1 , Vol. 111, Iss. 1, 2004-02 , pp. 36-48

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The optimal size of the exchange hole and reduction to one-particle Hamiltonians

By Mancas Paul,Müller A. M. Klaus,Siedentop Heinz in (2004)

Theoretical Chemistry Accounts,volume 111,issue 1 , Vol. 111, Iss. 1, 2004-02 , pp. 49-53

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Charles M Quinn: Computational Quantum Chemistry: A guide to interactive basis set theory

By Fermann J. T. in (2004)

Theoretical Chemistry Accounts,volume 111,issue 1 , Vol. 111, Iss. 1, 2004-02 , pp. 54-55

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Accuracy of geometries: influence of basis set, exchange–correlation potential, inclusion of core electrons, and relativistic corrections

By Swart M. in (2004)

Theoretical Chemistry Accounts,volume 111,issue 1 , Vol. 111, Iss. 1, 2004-02 , pp. 56-56

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Total 8 item(s)