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The Journal of Chemical Physics
|
January 23, 2017
Fast evaluation of solid harmonic Gaussian integrals for local resolution-of-the-identity methods and range-separated hybrid functionals
Dorothea Golze, Niels Benedikter, Marcella Iannuzzi, et al.
ACS Nano
|
December 17, 2013
Implantation length and thermal stability of interstitial ar atoms in boron nitride nanotents
Huanyao Cun, Marcella Iannuzzi, Adrian Hemmi, et al.
The Journal of Physical Chemistry Letters
|
February 24, 2018
Characterization of the Platinum-Hydrogen Bond by Surface-Sensitive Time-Resolved Infrared Spectroscopy
David Paleček, Gökçen Tek, Jinggang Lan, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 7, 2005
Lithium hydroxide phase transition under high pressure: an ab initio molecular dynamics study
Marco Pagliai, Marcella Iannuzzi, Gianni Cardini, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
May 19, 2022
Connection between water's dynamical and structural properties: Insights from ab initio simulations
Cecilia Herrero, Michela Pauletti, Gabriele Tocci, et al.
Journal of the American Chemical Society
|
January 20, 2026
Dynamics and Control of Dual Active Sites in Co-Substituted Ni Coordination Polymers for Enhanced Oxygen Evolution Catalysis
Yonggui Zhao, Nanchen Dongfang, Rolf Erni, et al.
Nature Communications
|
November 21, 2025
Dynamics and control of active sites in cobalt diselenide catalysts for overall water electrolysis
Yonggui Zhao, Nanchen Dongfang, Rolf Erni, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Simulation of Adsorption Processes at Metallic Interfaces: An Image Charge Augmented QM/MM Approach
Dorothea Golze, Marcella Iannuzzi, Manh-Thuong Nguyen, et al.
Journal of Computational Chemistry
|
March 14, 2015
Dividing a complex reaction involving a hypervalent iodine reagent into three limiting mechanisms by ab initio molecular dynamics
Oliver Sala, Hans Peter Lüthi, Antonio Togni, et al.
The Journal of Chemical Physics
|
July 10, 2009
Magnetic linear response properties calculations with the Gaussian and augmented-plane-wave method
Valéry Weber, Marcella Iannuzzi, Samuele Giani, et al.
Page
of 11
Search research articles
Search
Showing results (41-50 of 103) with videos related to
Sort By:
Page
of 11
The Journal of Chemical Physics
|
January 23, 2017
Fast evaluation of solid harmonic Gaussian integrals for local resolution-of-the-identity methods and range-separated hybrid functionals
Dorothea Golze, Niels Benedikter, Marcella Iannuzzi, et al.
ACS Nano
|
December 17, 2013
Implantation length and thermal stability of interstitial ar atoms in boron nitride nanotents
Huanyao Cun, Marcella Iannuzzi, Adrian Hemmi, et al.
The Journal of Physical Chemistry Letters
|
February 24, 2018
Characterization of the Platinum-Hydrogen Bond by Surface-Sensitive Time-Resolved Infrared Spectroscopy
David Paleček, Gökçen Tek, Jinggang Lan, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 7, 2005
Lithium hydroxide phase transition under high pressure: an ab initio molecular dynamics study
Marco Pagliai, Marcella Iannuzzi, Gianni Cardini, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
May 19, 2022
Connection between water's dynamical and structural properties: Insights from ab initio simulations
Cecilia Herrero, Michela Pauletti, Gabriele Tocci, et al.
Journal of the American Chemical Society
|
January 20, 2026
Dynamics and Control of Dual Active Sites in Co-Substituted Ni Coordination Polymers for Enhanced Oxygen Evolution Catalysis
Yonggui Zhao, Nanchen Dongfang, Rolf Erni, et al.
Nature Communications
|
November 21, 2025
Dynamics and control of active sites in cobalt diselenide catalysts for overall water electrolysis
Yonggui Zhao, Nanchen Dongfang, Rolf Erni, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Simulation of Adsorption Processes at Metallic Interfaces: An Image Charge Augmented QM/MM Approach
Dorothea Golze, Marcella Iannuzzi, Manh-Thuong Nguyen, et al.
Journal of Computational Chemistry
|
March 14, 2015
Dividing a complex reaction involving a hypervalent iodine reagent into three limiting mechanisms by ab initio molecular dynamics
Oliver Sala, Hans Peter Lüthi, Antonio Togni, et al.
The Journal of Chemical Physics
|
July 10, 2009
Magnetic linear response properties calculations with the Gaussian and augmented-plane-wave method
Valéry Weber, Marcella Iannuzzi, Samuele Giani, et al.
Page
of 11