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Journal of Chemical Theory and Computation|November 26, 2023
Improved Quantum-Classical Treatment of N2-N2 Inelastic Collisions: Effect of the Potentials and Complete Rate Coefficient Data SetsQizhen Hong, Loriano Storchi, Quanhua Sun, et al.
The Journal of Chemical Physics|February 27, 2024
Quantum-classical rate coefficient datasets of vibrational energy transfer in carbon monoxide based on highly accurate potential energy surfaceQizhen Hong, Loriano Storchi, Cecilia Coletti, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|November 17, 2006
Nonradical mechanisms for the uncatalyzed thermal functionalization of silicon surfaces by alkenes and alkynes: a density functional studyCecilia Coletti, Alessandro Marrone, Giacomo Giorgi, et al.
Molecules (Basel, Switzerland)|December 10, 2021
Vibrational Energy Transfer in CO+N2 Collisions: A Database for V-V and V-T/R Quantum-Classical Rate CoefficientsQizhen Hong, Massimiliano Bartolomei, Cecilia Coletti, et al.
Chemmedchem|August 8, 2006
Poly(ADP-ribose)-polymerase-catalyzed hydrolysis of NAD+: QM/MM simulation of the enzyme reactionDaniele Bellocchi, Gabriele Costantino, Roberto Pellicciari, et al.
Physical Chemistry Chemical Physics : PCCP|June 22, 2021
Reconciling experimental and theoretical vibrational deactivation in low-energy O + N2 collisionsQizhen Hong, Massimiliano Bartolomei, Fabrizio Esposito, et al.
Nanomaterials (Basel, Switzerland)|June 4, 2020
Interaction and Reactivity of Cisplatin Physisorbed on Graphene Oxide Nano-PrototypesMa Del Refugio Cuevas-Flores, Massimiliano Bartolomei, Marco Antonio García-Revilla, et al.
The Journal of Physical Chemistry. A|July 11, 2009
Atom-bond pairwise additive representation for halide-benzene potential energy surfaces: an ab initio validation studyMargarita Albertí, Antonio Aguilar, Josep M Lucas, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 11, 2016
Cisplatin Binding to Biological Ligands Revealed at the Encounter Complex Level by IR Action SpectroscopyDavide Corinti, Cecilia Coletti, Nazzareno Re, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|August 5, 2017
A Multi-Level Theoretical Study to Disclose the Binding Mechanisms of Gold(III)-Bipyridyl Compounds as Selective Aquaglyceroporin InhibitorsValentina Graziani, Alessandro Marrone, Nazzareno Re, et al.
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