Results 291 to 300 of about 1,337,527 (315)

ELECTROSTATIC MOLECULAR-POTENTIAL OF PHOSPHOLIPID LAYERS

1982
xxx
Pullman, B., Zakrzewskak, Xxxx
openaire   +1 more source

Quantification and classification of substituent effects in organic chemistry: a theoretical molecular electrostatic potential study.

Physical Chemistry, Chemical Physics - PCCP, 2016
Geetha S. Remya, C. Suresh
semanticscholar   +1 more source

Critical Role of Molecular Electrostatic Potential on Charge Generation in Organic Solar Cells

, 2018
H. Yao, Deping Qian, Hao Zhang, Yunpeng Qin, Bowei Xu, Yong Cui, Runnan Yu, F. Gao, Jianhui Hou   +8 more
semanticscholar   +1 more source

Exploiting the Role of Molecular Electrostatic Potential, Deformation Density, Topology, and Energetics in the Characterization of S···N and Cl···N Supramolecular Motifs in Crystalline Triazolothiadiazoles

, 2016
I. Khan, P. Panini, S. Khan, U. A. Rana, Hina Andleeb, D. Chopra, S. Hameed, J. Simpson   +7 more
semanticscholar   +1 more source

Topology of molecular electron density and electrostatic potential with DAMQT

Computer Physics Communications, 2017
R. López, J. F. Rico, G. Ramírez, I. Ema, David Zorrilla, Anmol Kumar, S. Yeole, S. Gadre   +7 more
semanticscholar   +1 more source

Molecular Electrostatic Potentials: Some Observations

2020
openaire   +1 more source

Exploring the Gradient Paths and Zero Flux Surfaces of Molecular Electrostatic Potential.

Journal of Chemical Theory and Computation, 2016
Anmol Kumar, S. Gadre
semanticscholar   +1 more source

Molecular structure, spectroscopy (FT-IR, FT-Raman), thermodynamic parameters, molecular electrostatic potential and HOMO-LUMO analysis of 2, 6-dichlorobenzamide

, 2016
Y. Tao, Li-gang Han, Xiaofeng Li, Yun-xia Han, Zhaojun Liu   +4 more
semanticscholar   +1 more source

Comparative analysis of electrostatic potential maxima and minima on molecular surfaces, as determined by three methods and a variety of basis sets

Journal of Computer Science, 2016
Kevin E. Riley, Khanh-An Tran, P. Lane, J. Murray, P. Politzer   +4 more
semanticscholar   +1 more source

- Molecular Electrostatic Potentials: Some Observations

2016
openaire   +1 more source