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The Journal of Chemical Physics
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November 26, 2009
On nonadiabatic coupling vectors in time-dependent density functional theory
Ivano Tavernelli, Basile F E Curchod, Ursula Rothlisberger
Chimia
|
May 23, 2012
Excited state dynamics with quantum trajectories
Basile F E Curchod, Ursula Rothlisberger, Ivano Tavernelli
Faraday Discussions
|
September 12, 2013
Photodynamics of Lys+-Trp protein motifs: hydrogen bonds ensure photostability
Matteo Guglielmi, Manuel Doemer, Ivano Tavernelli, et al.
Journal of Chemical Theory and Computation
|
November 28, 2015
Developing Improved Charge Sets for the Modeling of the KcsA K(+) Channel Using QM/MM Electrostatic Potentials
Denis Bucher, Leonardo Guidoni, Patrick Maurer, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 11, 2020
Why choosing the right partner is important: stabilization of ternary Cs<sub></sub>GUA<sub></sub>FA<sub>(1-</sub>PbI<sub>3</sub> perovskites
Ariadni Boziki, Marko Mladenović, Michael Grätzel, et al.
Biochemistry
|
February 3, 2012
Ion binding and internal hydration in the multidrug resistance secondary active transporter NorM investigated by molecular dynamics simulations
Stefano Vanni, Pablo Campomanes, Marco Marcia, et al.
Biochemistry
|
September 19, 2019
Association of Both Inhibitory and Stimulatory Gα Subunits Implies Adenylyl Cyclase 5 Deactivation
Siri C van Keulen, Daniele Narzi, Ursula Rothlisberger
Journal of Molecular Biology
|
February 6, 2010
A conserved protonation-induced switch can trigger "ionic-lock" formation in adrenergic receptors
Stefano Vanni, Marilisa Neri, Ivano Tavernelli, et al.
Journal of Chemical Theory and Computation
|
December 7, 2018
Shedding Light on the Basis Set Dependence of the Minnesota Functionals: Differences Between Plane Waves, Slater Functions, and Gaussians
Martin P Bircher, Pablo López-Tarifa, Ursula Rothlisberger
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 30, 2013
Trajectory-based nonadiabatic dynamics with time-dependent density functional theory
Basile F E Curchod, Ursula Rothlisberger, Ivano Tavernelli
Page
of 21
Search research articles
Search
Showing results (51-60 of 204) with videos related to
Sort By:
Page
of 21
The Journal of Chemical Physics
|
November 26, 2009
On nonadiabatic coupling vectors in time-dependent density functional theory
Ivano Tavernelli, Basile F E Curchod, Ursula Rothlisberger
Chimia
|
May 23, 2012
Excited state dynamics with quantum trajectories
Basile F E Curchod, Ursula Rothlisberger, Ivano Tavernelli
Faraday Discussions
|
September 12, 2013
Photodynamics of Lys+-Trp protein motifs: hydrogen bonds ensure photostability
Matteo Guglielmi, Manuel Doemer, Ivano Tavernelli, et al.
Journal of Chemical Theory and Computation
|
November 28, 2015
Developing Improved Charge Sets for the Modeling of the KcsA K(+) Channel Using QM/MM Electrostatic Potentials
Denis Bucher, Leonardo Guidoni, Patrick Maurer, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 11, 2020
Why choosing the right partner is important: stabilization of ternary Cs<sub></sub>GUA<sub></sub>FA<sub>(1-</sub>PbI<sub>3</sub> perovskites
Ariadni Boziki, Marko Mladenović, Michael Grätzel, et al.
Biochemistry
|
February 3, 2012
Ion binding and internal hydration in the multidrug resistance secondary active transporter NorM investigated by molecular dynamics simulations
Stefano Vanni, Pablo Campomanes, Marco Marcia, et al.
Biochemistry
|
September 19, 2019
Association of Both Inhibitory and Stimulatory Gα Subunits Implies Adenylyl Cyclase 5 Deactivation
Siri C van Keulen, Daniele Narzi, Ursula Rothlisberger
Journal of Molecular Biology
|
February 6, 2010
A conserved protonation-induced switch can trigger "ionic-lock" formation in adrenergic receptors
Stefano Vanni, Marilisa Neri, Ivano Tavernelli, et al.
Journal of Chemical Theory and Computation
|
December 7, 2018
Shedding Light on the Basis Set Dependence of the Minnesota Functionals: Differences Between Plane Waves, Slater Functions, and Gaussians
Martin P Bircher, Pablo López-Tarifa, Ursula Rothlisberger
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 30, 2013
Trajectory-based nonadiabatic dynamics with time-dependent density functional theory
Basile F E Curchod, Ursula Rothlisberger, Ivano Tavernelli
Page
of 21