Measurement System of Surface Electrostatic Potential on Insulation Board in Vacuum and its Application

2012 ◽  
Vol 132 (1) ◽  
pp. 95-100
Author(s):  
Hiroshi Morita ◽  
Ayumu Hatanaka ◽  
Toshiyuki Yokosuka ◽  
Yoshitaka Seki ◽  
Yoshiaki Tsumuraya ◽  
...  
Keyword(s):  
Electrostatic Potential ◽  
Measurement System ◽  
Surface Electrostatic Potential

Methyl-2-methyl-2-(4-methyl-phenyl)sulfonamido propanoate: structural study, supramolecular architecture and analysis of molecular surface electrostatic potential

2016 ◽  
Vol 231 (9) ◽  
Author(s):  
Paramita Chatterjee ◽  
Tanusri Dey ◽  
Uday Das ◽  
Vommina V. Sureshbabu ◽  
Alok K. Mukherjee
Keyword(s):  
Structural Study ◽  
Electrostatic Potential ◽  
Molecular Surface ◽  
Supramolecular Architecture ◽  
Surface Electrostatic Potential ◽  
Methyl Phenyl

AbstractAn arylsulfonamide compound, methyl-2-methyl-2-(4-methylphenyl)sulfonamido propanoate, (

scholarly journals Hexathioalkyl sumanenes: an electron-donating buckybowl as a building block for supramolecular materials

2017 ◽  
Vol 8 (12) ◽  
pp. 8405-8410 ◽  
Author(s):  
Yoshiaki Shoji ◽  
Takashi Kajitani ◽  
Fumitaka Ishiwari ◽  
Qiang Ding ◽  
Hiroyasu Sato ◽  
...  
Keyword(s):  
Electrostatic Potential ◽  
Building Block ◽  
Supramolecular Materials ◽  
Assembly Behavior ◽  
Surface Electrostatic Potential

The synthesis and assembly behavior of hexathioalkyl sumanenes, having a different feature of surface electrostatic potential from non-substituted sumanene, are described.

scholarly journals Atomic Charges, Surface Electrostatic Potential Analysis, and Bond Order Analysis on Nitriles and Isocyanides

2021 ◽  
Author(s):  
Yanyun Zhao ◽  
Xueli Cheng
Keyword(s):  
Electrostatic Potential ◽  
Bond Order ◽  
Atomic Charges ◽  
Bond Orders ◽  
Potential Analysis ◽  
Order Analysis ◽  
Population Analyses ◽  
Full Optimization ◽  
Global And Local ◽  
Surface Electrostatic Potential

Abstract Isocyanide-nitrile rearrangement has long been a continuing and interesting topic. A series of nitriles and isocyanides with the substituents of R=-AlH2, -BeH, -BH2, -C ≡ CH, -CF3, -CH3, -Cl, -C ≡ N, -COOH, -F, -H, Li, -MgH, -Na, -NH2, -NO2, -OH, -PH2, -SH, -SiH3, -CH = CH2 were investigated systematically based on full optimization at B3LYP-D3(BJ)/def2-QZVP level, and the isomerization energies from R-C ≡ N to :C = N-R were estimated. The substituent effect and bonding characters were analyzed by surface ESP colored van der Waals surfaces in conjunction with the global and local electrostatic extrema, the population analyses in terms of Hirshfeld and ADCH atomic charges, and bond order analyses via Laplacian and fuzzy bond orders.

scholarly journals Predicting Humoral Alloimmunity from Differences in Donor and Recipient HLA Surface Electrostatic Potential

2018 ◽  
Vol 201 (12) ◽  
pp. 3780-3792 ◽  
Author(s):  
Dermot H. Mallon ◽  
Christiane Kling ◽  
Matthew Robb ◽  
Eva Ellinghaus ◽  
J. Andrew Bradley ◽  
...  
Keyword(s):  
Electrostatic Potential ◽  
Surface Electrostatic Potential
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