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International Journal for Chemistry and Official Membership Journal of the Swiss Chemical Society (SCS) and its Divisions

CHIMIA, a scientific journal for chemistry in the broadest sense, is published 10 times a year and covers the interests of a wide and diverse readership. Contributions from all fields of chemistry and related areas are considered for publication in the form of Review Articles and Notes. A characteristic feature of CHIMIA are the thematic issues, each devoted to an area of great current significance.

Publisher: Swiss Chemical Society

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Volume 59, Numbers 7-8, July 2005
Computational Chemistry in Switzerland

Editorial

Open Access Editorial
pp. 384-386(3)
Authors: Weber, Jacques; Daul, Claude

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Sponsors

Open Access Sponsors
pp. 387-387(1)

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Committees

Open Access Committees
pp. 388-388(1)

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Program in Detail

Open Access Program in Detail
pp. 389-398(10)

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Abstracts of Oral Presentations

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Abstracts of Posters

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Author Index

Open Access Author Index
pp. 484-486(3)

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Computational Chemistry in Switzerland

Open Access One-Electron Equations for Embedded Electron Density and Their Applications to Study Electronic Structure of Atoms and Molecules in Condensed Phase
pp. 488-492(5)
Authors: Dulak, Marcin; Kevorkyants, Ruslan; Tran, Fabien; Wesolowski, Tomasz A.

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Open Access Quantum Mechanical/Molecular Mechanical (QM/MM) Car-Parrinello Simulations in Excited States
pp. 493-498(6)
Authors: Moret, Marc-Etienne; Tapavicza, Enrico; Guidoni, Leonardo; Röhrig, Ute F.; Sulpizi, Marialore; Tavernelli, Ivano; Rothlisberger, Ursula

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Open Access Ground and Excited State Density Functional Calculations with the Gaussian and Augmented-Plane-Wave Method
pp. 499-503(5)
Authors: Iannuzzi, Marcella; Chassaing, Thomas; Wallman, Thomas; Hutter, Jürg

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Open Access Computational Chemistry for Elucidating Protein Function: Energetics and Dynamics of Myoglobin–Ligand Systems
pp. 517-521(5)
Authors: Nutt, David R.; Banushkina, Polina; Meuwly, Markus

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Open Access Parity Violation in Chiral Molecules
pp. 530-538(9)
Authors: Quack, Martin; Stohner, Jürgen

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Editorial

Open Access 'Measuring' Electron Delocalization in π-Conjugated Systems
pp. 539-544(6)
Authors: Bruschi, Maurizio; Giuffreda, Maria Grazia; Lüthi, Hans Peter

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Computational Chemistry in Switzerland

Open Access Computational Chemistry at Novartis
pp. 545-549(5)
Authors: Lewis, Richard; Ertl, Peter; Jacoby, Edgar; Tintelnot-Blomley, Marina; Gedeck, Peter; Wolf, Romain M.; Peitsch, Manuel C.

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Open Access Computational Molecular Science for the Nutritional Industry
pp. 550-553(4)
Author: Grigorov, Martin G.

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FH - HES

Chimia-Report

Open Access Chimia-Report
pp. 557-561(5)

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