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Physical Chemistry Chemical Physics : PCCP
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April 3, 2020
The physical stage of radiolysis of solvated DNA by high-energy-transfer particles: insights from new first principles simulations
Aurelio Alvarez-Ibarra, Angela Parise, Karim Hasnaoui, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Asymptotic Expansion for Electrostatic Embedding Integrals in QM/MM Calculations
Aurelio Alvarez-Ibarra, Andreas M Köster, Rui Zhang, et al.
The Journal of Physical Chemistry Letters
|
February 1, 2018
Quantum Chemical Topology of the Electron Localization Function in the Field of Attosecond Electron Dynamics
Angela Parise, Aurelio Alvarez-Ibarra, Xiaojing Wu, et al.
Molecules (Basel, Switzerland)
|
March 19, 2015
QM/MM calculations with deMon2k
Dennis R Salahub, Sergei Yu Noskov, Bogdan Lev, et al.
Molecules (Basel, Switzerland)
|
May 1, 2019
Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review
Aurélien de la Lande, Aurelio Alvarez-Ibarra, Karim Hasnaoui, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Physical Chemistry Chemical Physics : PCCP
|
April 3, 2020
The physical stage of radiolysis of solvated DNA by high-energy-transfer particles: insights from new first principles simulations
Aurelio Alvarez-Ibarra, Angela Parise, Karim Hasnaoui, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Asymptotic Expansion for Electrostatic Embedding Integrals in QM/MM Calculations
Aurelio Alvarez-Ibarra, Andreas M Köster, Rui Zhang, et al.
The Journal of Physical Chemistry Letters
|
February 1, 2018
Quantum Chemical Topology of the Electron Localization Function in the Field of Attosecond Electron Dynamics
Angela Parise, Aurelio Alvarez-Ibarra, Xiaojing Wu, et al.
Molecules (Basel, Switzerland)
|
March 19, 2015
QM/MM calculations with deMon2k
Dennis R Salahub, Sergei Yu Noskov, Bogdan Lev, et al.
Molecules (Basel, Switzerland)
|
May 1, 2019
Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review
Aurélien de la Lande, Aurelio Alvarez-Ibarra, Karim Hasnaoui, et al.
Page
of 1