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Physical Chemistry Chemical Physics : PCCP
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February 10, 2011
Design of optimally switchable molecules by genetic algorithms
Niss Ole Carstensen, Johannes M Dieterich, Bernd Hartke
The Journal of Physical Chemistry. A
|
December 1, 2006
Fingerprints of delocalized transition states in quantum dynamics
Hermann Frank von Horsten, Guntram Rauhut, Bernd Hartke
The Journal of Physical Chemistry. A
|
March 14, 2023
Comparison of Implicit and Explicit Solvent Approaches in Ab Initio Evaluation of Thermochemistry in Solution: Application in Studying Boron Isotope Fractionation in Water
Amin Alibakhshi, Julien Steffen, Carlos Pinilla, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 22, 2024
Advancing Optoglycomics: Two Orthogonal Azobenzene Glycoside Antennas in One Glycocluster-Synthesis, Switching Cycles, Kinetics and Molecular Dynamics
Leon M Friedrich, Bernd Hartke, Thisbe K Lindhorst
Physical Chemistry Chemical Physics : PCCP
|
August 2, 2012
Photochemical dynamics of E-iPr-furylfulgide
Jan Boyke Schönborn, Axel Koslowski, Walter Thiel, et al.
Journal of Computational Chemistry
|
June 19, 2015
Efficient global optimization of reactive force-field parameters
Mark Dittner, Julian Müller, Hasan Metin Aktulga, et al.
Journal of Molecular Modeling
|
March 3, 2011
Aggregation of Kanamycin A: dimer formation with physiological cations
Johannes M Dieterich, Ulrich Gerstel, Jens-Michael Schröder, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 21, 2024
Migration of para-Nitrophenyl Groups in Methyl Pyranosides: Configuration and Conformation Determine the Kinetics
Leon M Friedrich, Clemens Lütjohann, Bernd Hartke, et al.
Journal of Computational Chemistry
|
July 16, 2013
Global optimization of parameters in the reactive force field ReaxFF for SiOH
Henrik R Larsson, Adri C T van Duin, Bernd Hartke
The Journal of Chemical Physics
|
June 6, 2018
Resonance dynamics of DCO (X̃<sup> 2</sup>A<sup>'</sup>) simulated with the dynamically pruned discrete variable representation (DP-DVR)
Henrik R Larsson, Jens Riedel, Jie Wei, et al.
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of 5
Search research articles
Search
Showing results (31-40 of 49) with videos related to
Sort By:
Page
of 5
Physical Chemistry Chemical Physics : PCCP
|
February 10, 2011
Design of optimally switchable molecules by genetic algorithms
Niss Ole Carstensen, Johannes M Dieterich, Bernd Hartke
The Journal of Physical Chemistry. A
|
December 1, 2006
Fingerprints of delocalized transition states in quantum dynamics
Hermann Frank von Horsten, Guntram Rauhut, Bernd Hartke
The Journal of Physical Chemistry. A
|
March 14, 2023
Comparison of Implicit and Explicit Solvent Approaches in Ab Initio Evaluation of Thermochemistry in Solution: Application in Studying Boron Isotope Fractionation in Water
Amin Alibakhshi, Julien Steffen, Carlos Pinilla, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 22, 2024
Advancing Optoglycomics: Two Orthogonal Azobenzene Glycoside Antennas in One Glycocluster-Synthesis, Switching Cycles, Kinetics and Molecular Dynamics
Leon M Friedrich, Bernd Hartke, Thisbe K Lindhorst
Physical Chemistry Chemical Physics : PCCP
|
August 2, 2012
Photochemical dynamics of E-iPr-furylfulgide
Jan Boyke Schönborn, Axel Koslowski, Walter Thiel, et al.
Journal of Computational Chemistry
|
June 19, 2015
Efficient global optimization of reactive force-field parameters
Mark Dittner, Julian Müller, Hasan Metin Aktulga, et al.
Journal of Molecular Modeling
|
March 3, 2011
Aggregation of Kanamycin A: dimer formation with physiological cations
Johannes M Dieterich, Ulrich Gerstel, Jens-Michael Schröder, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 21, 2024
Migration of para-Nitrophenyl Groups in Methyl Pyranosides: Configuration and Conformation Determine the Kinetics
Leon M Friedrich, Clemens Lütjohann, Bernd Hartke, et al.
Journal of Computational Chemistry
|
July 16, 2013
Global optimization of parameters in the reactive force field ReaxFF for SiOH
Henrik R Larsson, Adri C T van Duin, Bernd Hartke
The Journal of Chemical Physics
|
June 6, 2018
Resonance dynamics of DCO (X̃<sup> 2</sup>A<sup>'</sup>) simulated with the dynamically pruned discrete variable representation (DP-DVR)
Henrik R Larsson, Jens Riedel, Jie Wei, et al.
Page
of 5