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ACS Applied Materials & Interfaces
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November 10, 2020
Spatial Anisotropy of Charge Transfer at Perfluoropentacene-Pentacene (001) Single-Crystal Interfaces and its Relevance for Thin Film Devices
Sebastian Hammer, Clemens Zeiser, Marian Deutsch, et al.
The Journal of Chemical Physics
|
September 3, 2015
A general ansatz for constructing quasi-diabatic states in electronically excited aggregated systems
Wenlan Liu, Bernd Lunkenheimer, Volker Settels, et al.
The Journal of Physical Chemistry. B
|
April 9, 2008
Atomistic insights into the inhibition of cysteine proteases: first QM/MM calculations clarifying the regiospecificity and the inhibition potency of epoxide- and aziridine-based inhibitors
Milena Mladenovic, Konstantin Junold, Reinhold F Fink, et al.
Chemical Science
|
June 3, 2022
Can a Wanzlick-like equilibrium exist between dicoordinate borylenes and diborenes?
Felipe Fantuzzi, Yinchun Jiao, Rian D Dewhurst, et al.
Journal of Computational Chemistry
|
October 14, 2018
A model hamiltonian tuned toward high level ab initio calculations to describe the character of excitonic states in perylenebisimide aggregates
Wenlan Liu, Sofia Canola, Andreas Köhn, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 14, 2011
Paracyclophanes as model compounds for strongly interacting π-systems. Part 2: mono-hydroxy[2.2]paracyclophane
Christof Schon, Wolfgang Roth, Ingo Fischer, et al.
The Journal of Physical Chemistry. B
|
August 21, 2008
Atomistic insights into the inhibition of cysteine proteases: first QM/MM calculations clarifying the stereoselectivity of epoxide-based inhibitors
Milena Mladenovic, Kay Ansorg, Reinhold F Fink, et al.
Journal of Computational Chemistry
|
September 2, 2022
Structure and bonding of proximity-enforced main-group dimers stabilized by a rigid naphthyridine diimine ligand
Jonas Weiser, Jingjing Cui, Rian D Dewhurst, et al.
Journal of Computational Chemistry
|
July 25, 2014
CAST: a new program package for the accurate characterization of large and flexible molecular systems
Christoph Grebner, Johannes Becker, Daniel Weber, et al.
Journal of the American Chemical Society
|
April 29, 2004
Si-E (E = N, O, F) bonding in a hexacoordinated silicon complex: new facts from experimental and theoretical charge density studies
Nikolaus Kocher, Julian Henn, Boris Gostevskii, et al.
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of 18
Search research articles
Search
Showing results (71-80 of 173) with videos related to
Sort By:
Page
of 18
ACS Applied Materials & Interfaces
|
November 10, 2020
Spatial Anisotropy of Charge Transfer at Perfluoropentacene-Pentacene (001) Single-Crystal Interfaces and its Relevance for Thin Film Devices
Sebastian Hammer, Clemens Zeiser, Marian Deutsch, et al.
The Journal of Chemical Physics
|
September 3, 2015
A general ansatz for constructing quasi-diabatic states in electronically excited aggregated systems
Wenlan Liu, Bernd Lunkenheimer, Volker Settels, et al.
The Journal of Physical Chemistry. B
|
April 9, 2008
Atomistic insights into the inhibition of cysteine proteases: first QM/MM calculations clarifying the regiospecificity and the inhibition potency of epoxide- and aziridine-based inhibitors
Milena Mladenovic, Konstantin Junold, Reinhold F Fink, et al.
Chemical Science
|
June 3, 2022
Can a Wanzlick-like equilibrium exist between dicoordinate borylenes and diborenes?
Felipe Fantuzzi, Yinchun Jiao, Rian D Dewhurst, et al.
Journal of Computational Chemistry
|
October 14, 2018
A model hamiltonian tuned toward high level ab initio calculations to describe the character of excitonic states in perylenebisimide aggregates
Wenlan Liu, Sofia Canola, Andreas Köhn, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 14, 2011
Paracyclophanes as model compounds for strongly interacting π-systems. Part 2: mono-hydroxy[2.2]paracyclophane
Christof Schon, Wolfgang Roth, Ingo Fischer, et al.
The Journal of Physical Chemistry. B
|
August 21, 2008
Atomistic insights into the inhibition of cysteine proteases: first QM/MM calculations clarifying the stereoselectivity of epoxide-based inhibitors
Milena Mladenovic, Kay Ansorg, Reinhold F Fink, et al.
Journal of Computational Chemistry
|
September 2, 2022
Structure and bonding of proximity-enforced main-group dimers stabilized by a rigid naphthyridine diimine ligand
Jonas Weiser, Jingjing Cui, Rian D Dewhurst, et al.
Journal of Computational Chemistry
|
July 25, 2014
CAST: a new program package for the accurate characterization of large and flexible molecular systems
Christoph Grebner, Johannes Becker, Daniel Weber, et al.
Journal of the American Chemical Society
|
April 29, 2004
Si-E (E = N, O, F) bonding in a hexacoordinated silicon complex: new facts from experimental and theoretical charge density studies
Nikolaus Kocher, Julian Henn, Boris Gostevskii, et al.
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