Search research articles
Contact Us
Filters
Showing results (61-70 of 70) with videos related to
Page
of 7
Sort By:
You have reached the last page of results.
This site can display upto 70 results.
The Journal of Physical Chemistry Letters
|
October 20, 2017
Atomistic Explanation for Interlayer Charge Transfer in Metal-Semiconductor Nanocomposites: The Case of Silver and Anatase
Giovanni Di Liberto, Valentina Pifferi, Leonardo Lo Presti, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 15, 2009
First-principles semiclassical initial value representation molecular dynamics
Michele Ceotto, Sule Atahan, Sangwoo Shim, et al.
The Journal of Chemical Physics
|
November 3, 2018
A quantum mechanical insight into S<sub>N</sub>2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl<sup>-</sup>⋯CH<sub>3</sub>Cl pre-reaction complex with the VENUS suite of codes
Xinyou Ma, Giovanni Di Liberto, Riccardo Conte, et al.
Journal of Chemical Theory and Computation
|
November 22, 2015
Evaluating the Accuracy of Hessian Approximations for Direct Dynamics Simulations
Yu Zhuang, Matthew R Siebert, William L Hase, et al.
Journal of the American Chemical Society
|
March 12, 2024
Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine
Davide Moscato, Giacomo Mandelli, Mattia Bondanza, et al.
The Journal of Physical Chemistry Letters
|
January 19, 2026
Spectral Fingerprints of Hydrogen-Bonding in Water Solvation of Amino Acids
Cecilia Lanzi, Devendra Mani, Hamad Ashraf, et al.
Chemical Science
|
December 5, 2024
Semiclassical description of nuclear quantum effects in solvated and condensed phase molecular systems
Riccardo Conte, Giacomo Mandelli, Giacomo Botti, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
February 14, 2017
A Close Look at the Structure of the TiO<sub>2</sub>-APTES Interface in Hybrid Nanomaterials and Its Degradation Pathway: An Experimental and Theoretical Study
Daniela Meroni, Leonardo Lo Presti, Giovanni Di Liberto, et al.
Physical Review Letters
|
February 4, 2022
Zwitter Ionization of Glycine at Outer Space Conditions due to Microhydration by Six Water Molecules
Gerhard Schwaab, Ricardo Pérez de Tudela, Devendra Mani, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 23, 2023
The first HyDRA challenge for computational vibrational spectroscopy
Taija L Fischer, Margarethe Bödecker, Sophie M Schweer, et al.
Page
of 7
Search research articles
Search
Showing results (61-70 of 70) with videos related to
Sort By:
Page
of 7
You have reached the last page of results.
This site can display upto 70 results.
The Journal of Physical Chemistry Letters
|
October 20, 2017
Atomistic Explanation for Interlayer Charge Transfer in Metal-Semiconductor Nanocomposites: The Case of Silver and Anatase
Giovanni Di Liberto, Valentina Pifferi, Leonardo Lo Presti, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 15, 2009
First-principles semiclassical initial value representation molecular dynamics
Michele Ceotto, Sule Atahan, Sangwoo Shim, et al.
The Journal of Chemical Physics
|
November 3, 2018
A quantum mechanical insight into S<sub>N</sub>2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl<sup>-</sup>⋯CH<sub>3</sub>Cl pre-reaction complex with the VENUS suite of codes
Xinyou Ma, Giovanni Di Liberto, Riccardo Conte, et al.
Journal of Chemical Theory and Computation
|
November 22, 2015
Evaluating the Accuracy of Hessian Approximations for Direct Dynamics Simulations
Yu Zhuang, Matthew R Siebert, William L Hase, et al.
Journal of the American Chemical Society
|
March 12, 2024
Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine
Davide Moscato, Giacomo Mandelli, Mattia Bondanza, et al.
The Journal of Physical Chemistry Letters
|
January 19, 2026
Spectral Fingerprints of Hydrogen-Bonding in Water Solvation of Amino Acids
Cecilia Lanzi, Devendra Mani, Hamad Ashraf, et al.
Chemical Science
|
December 5, 2024
Semiclassical description of nuclear quantum effects in solvated and condensed phase molecular systems
Riccardo Conte, Giacomo Mandelli, Giacomo Botti, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
February 14, 2017
A Close Look at the Structure of the TiO<sub>2</sub>-APTES Interface in Hybrid Nanomaterials and Its Degradation Pathway: An Experimental and Theoretical Study
Daniela Meroni, Leonardo Lo Presti, Giovanni Di Liberto, et al.
Physical Review Letters
|
February 4, 2022
Zwitter Ionization of Glycine at Outer Space Conditions due to Microhydration by Six Water Molecules
Gerhard Schwaab, Ricardo Pérez de Tudela, Devendra Mani, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 23, 2023
The first HyDRA challenge for computational vibrational spectroscopy
Taija L Fischer, Margarethe Bödecker, Sophie M Schweer, et al.
Page
of 7