Special Issue "Applications of Molecular Dynamics"
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry, Theoretical and Computational Chemistry".
Deadline for manuscript submissions: closed (15 December 2010)
Prof. Dr. Lorenz Cederbaum
Theoretische Chemie, Physikalisch-Chemisches Institut, Im Neuenheimer Feld 229, D-69120 Heidelberg, Germany
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. Papers will be published continuously (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are refereed through a peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed Open Access monthly journal published by MDPI.
- molecular dynamics
Int. J. Mol. Sci. 2011, 12(1), 128-140; doi:10.3390/ijms12010128
Received: 26 November 2010; in revised form: 8 December 2010 / Accepted: 23 December 2010 / Published: 30 December 2010| Download PDF Full-text (3698 KB) | Download XML Full-text
Article: Comparison of Free Energy Surfaces Calculations from Ab Initio Molecular Dynamic Simulations at the Example of Two Transition Metal Catalyzed Reactions
Int. J. Mol. Sci. 2011, 12(2), 1389-1409; doi:10.3390/ijms12021389
Received: 1 December 2010; in revised form: 4 February 2011 / Accepted: 22 February 2011 / Published: 23 February 2011| Download PDF Full-text (3537 KB) | Download XML Full-text
Last update: 7 July 2010