Search research articles
Contact Us
Filters
Showing results (1-10 of 11) with videos related to
Page
of 2
Sort By:
The Journal of Chemical Physics
|
April 20, 2005
Chemical reaction rates from ring polymer molecular dynamics
Ian R Craig, David E Manolopoulos
The Journal of Chemical Physics
|
August 6, 2005
A refined ring polymer molecular dynamics theory of chemical reaction rates
Ian R Craig, David E Manolopoulos
The Journal of Chemical Physics
|
August 12, 2004
Quantum statistics and classical mechanics: real time correlation functions from ring polymer molecular dynamics
Ian R Craig, David E Manolopoulos
The Journal of Chemical Physics
|
October 16, 2007
Proton transfer reactions in model condensed-phase environments: Accurate quantum dynamics using the multilayer multiconfiguration time-dependent Hartree approach
Ian R Craig, Michael Thoss, Haobin Wang
The Journal of Chemical Physics
|
August 17, 2011
Accurate quantum-mechanical rate constants for a linear response Azzouz-Borgis proton transfer model employing the multilayer multiconfiguration time-dependent Hartree approach
Ian R Craig, Michael Thoss, Haobin Wang
Journal of Chemical Information and Modeling
|
March 13, 2010
Ensemble docking into multiple crystallographically derived protein structures: an evaluation based on the statistical analysis of enrichments
Ian R Craig, Jonathan W Essex, Katrin Spiegel
The Journal of Chemical Physics
|
April 17, 2008
Proton transfer in a polar solvent from ring polymer reaction rate theory
Rosana Collepardo-Guevara, Ian R Craig, David E Manolopoulos
Pest Management Science
|
April 17, 2013
Sensitivity of Phakopsora pachyrhizi towards quinone-outside-inhibitors and demethylation-inhibitors, and corresponding resistance mechanisms
Helena K Schmitz, Carlos-Antonio Medeiros, Ian R Craig, et al.
Journal of Chemical Information and Modeling
|
September 14, 2011
Pocket-space maps to identify novel binding-site conformations in proteins
Ian R Craig, Christopher Pfleger, Holger Gohlke, et al.
Pest Management Science
|
May 6, 2020
Trifluoromethyloxadiazoles: inhibitors of histone deacetylases for control of Asian soybean rust
Christian Winter, Marcus Fehr, Ian R Craig, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
April 20, 2005
Chemical reaction rates from ring polymer molecular dynamics
Ian R Craig, David E Manolopoulos
The Journal of Chemical Physics
|
August 6, 2005
A refined ring polymer molecular dynamics theory of chemical reaction rates
Ian R Craig, David E Manolopoulos
The Journal of Chemical Physics
|
August 12, 2004
Quantum statistics and classical mechanics: real time correlation functions from ring polymer molecular dynamics
Ian R Craig, David E Manolopoulos
The Journal of Chemical Physics
|
October 16, 2007
Proton transfer reactions in model condensed-phase environments: Accurate quantum dynamics using the multilayer multiconfiguration time-dependent Hartree approach
Ian R Craig, Michael Thoss, Haobin Wang
The Journal of Chemical Physics
|
August 17, 2011
Accurate quantum-mechanical rate constants for a linear response Azzouz-Borgis proton transfer model employing the multilayer multiconfiguration time-dependent Hartree approach
Ian R Craig, Michael Thoss, Haobin Wang
Journal of Chemical Information and Modeling
|
March 13, 2010
Ensemble docking into multiple crystallographically derived protein structures: an evaluation based on the statistical analysis of enrichments
Ian R Craig, Jonathan W Essex, Katrin Spiegel
The Journal of Chemical Physics
|
April 17, 2008
Proton transfer in a polar solvent from ring polymer reaction rate theory
Rosana Collepardo-Guevara, Ian R Craig, David E Manolopoulos
Pest Management Science
|
April 17, 2013
Sensitivity of Phakopsora pachyrhizi towards quinone-outside-inhibitors and demethylation-inhibitors, and corresponding resistance mechanisms
Helena K Schmitz, Carlos-Antonio Medeiros, Ian R Craig, et al.
Journal of Chemical Information and Modeling
|
September 14, 2011
Pocket-space maps to identify novel binding-site conformations in proteins
Ian R Craig, Christopher Pfleger, Holger Gohlke, et al.
Pest Management Science
|
May 6, 2020
Trifluoromethyloxadiazoles: inhibitors of histone deacetylases for control of Asian soybean rust
Christian Winter, Marcus Fehr, Ian R Craig, et al.
Page
of 2