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2009, ISBN 9780521898638, Volume 9780521898638, x, 567
Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical... 
Computer simulation | Molecular dynamics | Molecular dynamics - Computer simulation
Book
Angewandte Chemie (International ed.), ISSN 1433-7851, 2015, Volume 54, Issue 18, pp. 5518 - 5522
Journal Article
Angewandte Chemie (International ed.), ISSN 1433-7851, 2015, Volume 54, Issue 25, pp. 7340 - 7343
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 11/2013, Volume 52, Issue 45, pp. 11744 - 11749
Split and polish: Quantum mechanics/molecular mechanics simulations reveal the role of spin surfaces, kinetics, and thermodynamics on the interconversion... 
ab initio calculations | density functional calculations | photosystem II | water splitting | Kok cycle | photosystem-II | ab-initio calculations | Photosystem II Protein Complex - chemistry | Photosynthetic Reaction Center Complex Proteins | Oxygen - chemistry | photosystem II | ab initio calculations
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 06/2013, Volume 52, Issue 26, pp. 6629 - 6632
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 11/2014, Volume 53, Issue 47, pp. 12966 - 12970
Journal Article
Angewandte Chemie (International ed.), ISSN 1433-7851, 2013, Volume 52, Issue 47, pp. 12317 - 12321
The w(hole) picture: A tetrel bond is a directional noncovalent interaction between a covalently bonded atom of Group IV and a negative site, for example, the... 
ab initio calculations | silicon | noncovalent interactions | supramolecular chemistry | group 14 elements | HYDROGEN | CRYSTAL-STRUCTURE | OCTADECASIL | BETA-DONOR BONDS | UNITS | CHEMISTRY, MULTIDISCIPLINARY | Pictures | Covalence | Anions | Hydrogen bonds | Chemical bonds | Lewis base | Electrostatics | Bonding
Journal Article
Chemistry : a European journal, ISSN 0947-6539, 2015, Volume 21, Issue 12, pp. 4739 - 4746
Journal Article