Results 291 to 300 of about 220,384 (307)

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

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

Long-range Electrostatic Interactions in Molecular Dynamics: An Endothelin-1 Case Study

Journal of Biomolecular Structure and Dynamics, 2005
Jaroslav Koca
exaly  

Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies

Journal of Molecular Modeling, 2010
Felipe A Bulat, Alejandro Toro-Labbé, Tore Brinck   +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

Effect of molecular weight on the properties of chitosan films prepared using electrostatic spraying technique

Carbohydrate Polymers, 2019
Yu Zhong, Yanyun Zhao
exaly  

Calculation of electrostatic interaction energies in molecular dimers from atomic multipole moments obtained by different methods of electron density partitioning

Journal of Computational Chemistry, 2004
Anatoliy Volkov, Philip Coppens
exaly  

Molecular surface electrostatic potentials in the analysis of non-hydrogen-bonding noncovalent interactions

Journal of Chemical Sciences, 1994
Jane S Murray, Peter Politzer, Murray Jane S   +2 more
exaly  

Programs for calculating the molecular electrostatic potential

Journal of Structural Chemistry, 1978
openaire   +1 more source

A new method to determine electrostatic potential around a macromolecule in solution from molecular wave functions

Journal of Computational Chemistry, 2006
Norio Yoshida, Fumio Hirata
exaly  

Electronic structure, molecular electrostatic potential and hydrogen bonding in DMSO–X complexes (X=ethanol, methanol and water)

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2011
Nilesh R Dhumal
exaly