Theoretical Chemistry Accounts,volume 111,issue 2-6  (03-2014)

Period of time： 2014年2-6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 2-6

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Editorial

By Barone Vincenzo in (2004)

Theoretical Chemistry Accounts,volume 111,issue 2-6 , Vol. 111, Iss. 2-6, 2004-03 , pp. 57-57

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Jacopo Tomasi

By Persico Maurizio in (2004)

Theoretical Chemistry Accounts,volume 111,issue 2-6 , Vol. 111, Iss. 2-6, 2004-03 , pp. 58-60

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Simulation of volume polarization for the influence of solvation on chemical shielding

By Chipman Daniel M. in (2004)

Theoretical Chemistry Accounts,volume 111,issue 2-6 , Vol. 111, Iss. 2-6, 2004-03 , pp. 61-65

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Second-order Mø øller–Plesset second derivatives for the polarizable continuum model: theoretical bases and application to solvent effects in electrophilic bromination of ethylene

By Cammi Roberto in (2004)

Theoretical Chemistry Accounts,volume 111,issue 2-6 , Vol. 111, Iss. 2-6, 2004-03 , pp. 66-77

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Solvent effects in electronically excited states using the continuum solvation model COSMO in combination with multireference configuration interaction with singles and doubles (MR-CISD)

By Monte Silmar Andrade do in (2004)

Theoretical Chemistry Accounts,volume 111,issue 2-6 , Vol. 111, Iss. 2-6, 2004-03 , pp. 78-89

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Achieving linear-scaling computational cost for the polarizable continuum model of solvation

By Scalmani Giovanni in (2004)

Theoretical Chemistry Accounts,volume 111,issue 2-6 , Vol. 111, Iss. 2-6, 2004-03 , pp. 90-100

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A molecular dynamics study on Rh 3+ hydration: development and application of a first principles hydrated ion–water interaction potential

By Martínez José M. in (2004)

Theoretical Chemistry Accounts,volume 111,issue 2-6 , Vol. 111, Iss. 2-6, 2004-03 , pp. 101-109

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Theory and computation of electron transfer reorganization energies with continuum and molecular solvent models

By Leontyev I.V. in (2004)

Theoretical Chemistry Accounts,volume 111,issue 2-6 , Vol. 111, Iss. 2-6, 2004-03 , pp. 110-121

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Molecular properties of molecules between electrodes

By Hansen Thorsten in (2004)

Theoretical Chemistry Accounts,volume 111,issue 2-6 , Vol. 111, Iss. 2-6, 2004-03 , pp. 122-131

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Solvent effects on g -tensors of semiquinone radical anions: polarizable continuum versus cluster models

By Ciofini I. in (2004)

Theoretical Chemistry Accounts,volume 111,issue 2-6 , Vol. 111, Iss. 2-6, 2004-03 , pp. 132-140

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