Class 2 Transferases ||
- 作者Schomburg, Dietmar; Schomburg, Ida; Chang, Antje
- 文件大小2320.34KB
- 发表时间2009
- DOI10.1007/978-3-540-85697-9
Comparison of G3 and G4 Theories for Radical Addition and Abstraction ReactionsLin, Ching Yeh; Hodgson, Jennifer L.; Namazian, Mansoor; Coote, Michelle L. · The Journal of Physical Chemistry A · 2009
Should Contemporary Density Functional Theory Methods Be Used to Study the Thermodynamics of Radical Reactions?Izgorodina, Ekaterina I.; Brittain, David R. B.; Hodgson, Jennifer L.; Krenske, Elizabeth H.; Lin, Ching Yeh; Namazian, Mansoor; Coote, Michelle L. · The Journal of Physical Chemistry A · 2007
Gaussian Expansions of OrbitalsMcKemmish, Laura K.; Gill, Peter M. W. · Journal of Chemical Theory and Computation · 2012
Free Energy Guided SamplingZhou, Ting; Caflisch, Amedeo · Journal of Chemical Theory and Computation · 2012
On Reaction Coordinate OptimalityKrivov, Sergei V. · Journal of Chemical Theory and Computation · 2013
Metadynamics with Adaptive GaussiansBranduardi, Davide; Bussi, Giovanni; Parrinello, Michele · Journal of Chemical Theory and Computation · 2012
Symmetry Conservation in Fukui FunctionsFlores-Moreno, Roberto · Journal of Chemical Theory and Computation · 2010
Transient Polymorphism in NaClGiberti, Federico; Tribello, Gareth A.; Parrinello, Michele · Journal of Chemical Theory and Computation · 2013
Developments in Theoretical ChemistryMcCoy, Anne B.; Scuseria, Gustavo E. · Journal of Chemical Theory and Computation · 2014
Connecting Pauling and Mulliken ElectronegativitiesHerrick, David R. · Journal of Chemical Theory and Computation · 2005