Volume 132, Issue 8 | Theoretical Chemistry Accounts

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Volume 132, Issue 8

August 2013

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5 articles in this issue

Analysis of energy-optimized Gaussian basis sets for condensed phase density functional calculations
Frank Jensen
Regular Article 03 July 2013 Article: 1380
Microscopic modes and free energies for topoisomerase I-DNA covalent complex binding with non-camptothecin inhibitors by molecular docking and dynamics simulations
Ning-Ning Wei
Adel Hamza
Chang-Guo Zhan
Regular Article 06 July 2013 Article: 1379
Dissociation of multiple hydrogen molecules on the three-dimensional aluminium cluster: theoretical study
Jerzy Moc
Regular Article Open access 03 July 2013 Article: 1378
Hydrophobic meddling in small water clusters
C. Z. Hadad
Albeiro Restrepo
Jorge David
Regular Article 19 June 2013 Article: 1376
Association reaction between SiH₃ and H₂O₂: a computational study of the reaction mechanism and kinetics
Kaushik Sen
Bhaskar Mondal
Abhijit K. Das
Regular Article 09 June 2013 Article: 1375