Theoretical Chemistry Accounts,volume 118,issue 1  (07-2014)

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 118,issue 1

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Preface

By Garavelli Marco,Robb Michael in (2007)

Theoretical Chemistry Accounts,volume 118,issue 1 , Vol. 118, Iss. 1, 2007-07 , pp. 1-7

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Improved direct diabatization and coupled potential energy surfaces for the photodissociation of ammonia

By Li Zhen,Valero Rosendo,Truhlar Donald in (2007)

Theoretical Chemistry Accounts,volume 118,issue 1 , Vol. 118, Iss. 1, 2007-07 , pp. 9-24

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Potential energy surface and kinetics of the helix–coil transition in a 33-peptide

By Brancolini Giorgia in (2007)

Theoretical Chemistry Accounts,volume 118,issue 1 , Vol. 118, Iss. 1, 2007-07 , pp. 25-34

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A multireference perturbation theory study on the vertical electronic spectrum of thiophene

By Pastore Mariachiara,Angeli Celestino,Cimiraglia Renzo in (2007)

Theoretical Chemistry Accounts,volume 118,issue 1 , Vol. 118, Iss. 1, 2007-07 , pp. 35-46

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Quantum dynamics of H atom transmission across carbon nanotubes

By Skouteris Dimitrios,Gervasi Osvaldo,Laganà Antonio in (2007)

Theoretical Chemistry Accounts,volume 118,issue 1 , Vol. 118, Iss. 1, 2007-07 , pp. 47-52

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Bosonic helium clusters doped by alkali metal cations: interaction forces and analysis of their most stable structures

By Marinetti F.,Coccia E.,Bodo E.,Gianturco F.,Yurtsever E.,Yurtsever M.,Yildirim E. in (2007)

Theoretical Chemistry Accounts,volume 118,issue 1 , Vol. 118, Iss. 1, 2007-07 , pp. 53-65

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SERS effect in CO physisorbed on homogeneous and core-shell nanoparticle aggregates

By Bruzzone S.,Malvaldi M.,Arrighini G.,Guidotti C. in (2007)

Theoretical Chemistry Accounts,volume 118,issue 1 , Vol. 118, Iss. 1, 2007-07 , pp. 67-73

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Protonated acetylene revisited

By Psciuk Brian,Benderskii Victor,Schlegel H. in (2007)

Theoretical Chemistry Accounts,volume 118,issue 1 , Vol. 118, Iss. 1, 2007-07 , pp. 75-80

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Electronic excitation in a syn -tetrasilane: 1,1,2,2,3,3, 4,4-octamethyltetrasilacyclopentane

By Crespo Raül in (2007)

Theoretical Chemistry Accounts,volume 118,issue 1 , Vol. 118, Iss. 1, 2007-07 , pp. 81-87

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Magnetotropicity of phosphole and its arsenic analogue

By Pelloni Stefano,Lazzeretti Paolo in (2007)

Theoretical Chemistry Accounts,volume 118,issue 1 , Vol. 118, Iss. 1, 2007-07 , pp. 89-97

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