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Inorganic Chemistry
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December 27, 2021
Linear Scaling Relationships to Predict p<i>K</i><sub>a</sub>'s and Reduction Potentials for Bioinspired Hydrogenase Catalysis
Rakesh C Puthenkalathil, Bernd Ensing
Physical Chemistry Chemical Physics : PCCP
|
June 29, 2010
Hydrolysis of cisplatin--a first-principles metadynamics study
Justin Kai-Chi Lau, Bernd Ensing
The Journal of Chemical Physics
|
October 8, 2025
Simultaneous sampling of multiple transition channels using adaptive paths of collective variables
Alberto Pérez de Alba Ortíz, Bernd Ensing
Faraday Discussions
|
February 18, 2010
A simple coarse-grained model for self-assembling silk-like protein fibers
Marieke Schor, Bernd Ensing, Peter G Bolhuis
Physical Chemistry Chemical Physics : PCCP
|
March 19, 2020
Unraveling the mechanism of biomimetic hydrogen fuel production - a first principles molecular dynamics study
Rakesh C Puthenkalathil, Mihajlo Etinski, Bernd Ensing
Angewandte Chemie (International Ed. in English)
|
March 29, 2006
Formamide hydrolysis in alkaline aqueous solution: insight from Ab initio metadynamics calculations
Jochen Blumberger, Bernd Ensing, Michael L Klein
The Journal of Physical Chemistry. A
|
November 20, 2012
On the polarity of buckminsterfullerene with a water molecule inside
Bernd Ensing, Francesca Costanzo, Pier Luigi Silvestrelli
Journal of Chemical Theory and Computation
|
November 25, 2015
Quantitative Assessment of Force Fields on Both Low-Energy Conformational Basins and Transition-State Regions of the (ϕ-ψ) Space
Zhiwei Liu, Bernd Ensing, Preston B Moore
Journal of Chromatography. A
|
November 3, 2021
Bayesian optimization of comprehensive two-dimensional liquid chromatography separations
Jim Boelrijk, Bob Pirok, Bernd Ensing, et al.
Journal of the American Chemical Society
|
August 11, 2005
Computational study of phosphatase activity in soluble epoxide hydrolase: high efficiency through a water bridge mediated proton shuttle
Marco De Vivo, Bernd Ensing, Michael L Klein
Page
of 7
Search research articles
Search
Showing results (11-20 of 66) with videos related to
Sort By:
Page
of 7
Inorganic Chemistry
|
December 27, 2021
Linear Scaling Relationships to Predict p<i>K</i><sub>a</sub>'s and Reduction Potentials for Bioinspired Hydrogenase Catalysis
Rakesh C Puthenkalathil, Bernd Ensing
Physical Chemistry Chemical Physics : PCCP
|
June 29, 2010
Hydrolysis of cisplatin--a first-principles metadynamics study
Justin Kai-Chi Lau, Bernd Ensing
The Journal of Chemical Physics
|
October 8, 2025
Simultaneous sampling of multiple transition channels using adaptive paths of collective variables
Alberto Pérez de Alba Ortíz, Bernd Ensing
Faraday Discussions
|
February 18, 2010
A simple coarse-grained model for self-assembling silk-like protein fibers
Marieke Schor, Bernd Ensing, Peter G Bolhuis
Physical Chemistry Chemical Physics : PCCP
|
March 19, 2020
Unraveling the mechanism of biomimetic hydrogen fuel production - a first principles molecular dynamics study
Rakesh C Puthenkalathil, Mihajlo Etinski, Bernd Ensing
Angewandte Chemie (International Ed. in English)
|
March 29, 2006
Formamide hydrolysis in alkaline aqueous solution: insight from Ab initio metadynamics calculations
Jochen Blumberger, Bernd Ensing, Michael L Klein
The Journal of Physical Chemistry. A
|
November 20, 2012
On the polarity of buckminsterfullerene with a water molecule inside
Bernd Ensing, Francesca Costanzo, Pier Luigi Silvestrelli
Journal of Chemical Theory and Computation
|
November 25, 2015
Quantitative Assessment of Force Fields on Both Low-Energy Conformational Basins and Transition-State Regions of the (ϕ-ψ) Space
Zhiwei Liu, Bernd Ensing, Preston B Moore
Journal of Chromatography. A
|
November 3, 2021
Bayesian optimization of comprehensive two-dimensional liquid chromatography separations
Jim Boelrijk, Bob Pirok, Bernd Ensing, et al.
Journal of the American Chemical Society
|
August 11, 2005
Computational study of phosphatase activity in soluble epoxide hydrolase: high efficiency through a water bridge mediated proton shuttle
Marco De Vivo, Bernd Ensing, Michael L Klein
Page
of 7