Results 231 to 240 of about 590,847 (290)

Molecular Electrostatic Potentials

ChemInform, 2003
AbstractFor Abstract see ChemInform Abstract in Full Text.
Peter Politzer, Jane S. Murray
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The Electrostatic Potential of Periodic Crystals

SIAM Journal on Mathematical Analysis, 2021
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Jeffrey Rauch, L. Ridgway Scott
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Chromatographic Probing of Electrostatic Potential

Analytical Chemistry, 2001
Electrostatic potential in the vicinity of the surface of a cation-exchange resin has been evaluated by modeling chromatographic retention. Binary mixtures of K+ and its crown ether complex in methanol are used as mobile phases, and two types of solutes, that is, cationic and crown ether probes, have been examined.
T, Okada, Y, Sugaya
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Electrostatic Potential Around Actin

1993
We presume that tension of contracting muscle originates from electrostatic force experienced by actin and myosin. We suppose that a high-energy state of myosin-ADP-Pi interacts with actin, transferring the stored energy to actin, and that the actin excited in this way develops around itself electric field which exerts sliding force against charged ...
T, Ando, N, Kobayashi, E, Munekata
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Electrostatic potentials in membrane systems

Bulletin of Mathematical Biology, 1983
A membrane with an arbitrary distribution of fixed charges inside and on its surfaces is considered. A procedure for calculating the local electrostatic potential at an arbitrary point of the system is described and its validity discussed. This procedure is based on the linearization of the 3-dimensional Poisson-Boltzmann equation around an exact 1 ...
Duniec, Jacek T., Thorne, Sidney W.
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Electrostatic potentials and covalent radii

Journal of Computational Chemistry, 2003
AbstractWe begin with a brief overview of the electrostatic potentialV(r) as a fundamental determinant of the properties of systems of electrons and nuclei. The minimum ofV(r) along the internuclear axis between two bonded atoms is a natural and physically meaningful boundary point, at which the electrostatic forces of the two nuclei upon an element of
Peter, Politzer, Jane S, Murray, Pat, Lane   +2 more
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Electrostatic Potential of Specific Mineral Faces

Langmuir, 2011
Reaction rates of environmental processes occurring at hydrated mineral surfaces are in part controlled by the electrostatic potential that develops at the interface. This potential depends on the structure of exposed crystal faces as well as the pH and the type of ions and their interactions with these faces.
Zarzycki, Pjotr, Chatman, Swawn, Preočanin, Tajana, Rosso, Kevin   +3 more
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Electrostatic Potentials in Photoconductors

Physica Status Solidi (a), 1972
Which has been proposed by Ruppel some years ago, is shown to be an excellent approximation formula for the electrostatic potential difference across a space charge layer in an illuminated photoconductor provided that no net current is flowing. der vor einiger Zeit von Ruppel vorgeschlagen wurde, eine ausgezeichnete Naherungsformel fur
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Molecular Electrostatic Potential as a Graph

Current Computer Aided-Drug Design, 2013
We present several procedures to represent molecular electrostatic potential as a graph, based on the pattern of critical points and their neighborhood relations. This representation is used for the molecular electrostatic comparison, which is reduced to a comparison of tree-type graphs. Several methods to compare trees are also presented.
Edgar E, Daza, Julio, Maza, Raul, Torres
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Mixed QM/MM molecular electrostatic potentials

Journal of Computer-Aided Molecular Design, 2000
A new method is presented for the calculation of the Molecular Electrostatic Potential (MEP) in large systems. Based on the mixed Quantum Mechanics/Molecular Mechanics (QM/MM) approach, the method assumes both a quantum and classical description for the molecule, and the calculation of the MEP in the space surrounding the molecule is made using this ...
B, Hernández, F J, Luque, M, Orozco
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