Results 271 to 280 of about 11,438,583 (298)

Molecular electrostatic potential analysis: A powerful tool to interpret and predict chemical reactivity

Wiley Interdisciplinary Reviews: Computational Molecular Science, 2022
Cherumuttathu H Suresh, Geetha S Remya
exaly  

The antioxidant capacity of myricetin. A molecular electrostatic potential analysis based on DFT calculations

Chemical Physics Letters, 2022
Jorge Ignacio Martínez-Araya, Claudia Sandoval-Yañez   +1 more
exaly  

A density fitting scheme for the fast evaluation of molecular electrostatic potential

Journal of Computational Chemistry, 2023
Jian Zhao, Yingfeng Zhang
exaly  

Molecular thermal smeared electrostatic potential

Acta Crystallographica Section A Foundations and Advances, 2018
Christian Hubschle, Sander van Smaalen
openaire   +1 more source

The preservation performance of chitosan coating with different molecular weight on strawberry using electrostatic spraying technique

International Journal of Biological Macromolecules, 2020
Yanyun Zhao, Zhong Yu
exaly  

Fitting Molecular Electrostatic Potentials from Quantum Mechanical Calculations

Journal of Chemical Theory and Computation, 2007
Weitao Yang
exaly  

A Comparison of Particle-Particle, Particle-Mesh and Ewald Methods for Calculating Electrostatic Interactions in Periodic Molecular Systems

Molecular Simulation, 1994
Malcolm E. Davis, Wilfred F van Gunsteren, Brock A Luty   +2 more
exaly  

Group contributions to the electrostatic molecular potential

Journal of the American Chemical Society, 1976
Rosanna Bonaccorsi, Eolo Scrocco, Jacopo Tomasi   +2 more
openaire   +1 more source

Influence of electrostatic field on the adsorption of phenol on single-walled carbon nanotubes: A study by molecular dynamics simulation

Chemical Engineering Journal, 2019
Yong Han
exaly  

Statistical analysis of the molecular surface electrostatic potential: an approach to describing noncovalent interactions in condensed phases

Computational and Theoretical Chemistry, 1998
Peter Politzer, Jane S Murray
exaly