Capitalizing on Mediated Electrolyses for the Construction of Complex, Addressable Molecular Surfaces

2021 ◽  
Author(s):  
Ruby Krueger ◽  
Kevin D. Moeller
Keyword(s):  
Molecular Surfaces

Kernel modeling for molecular surfaces using a uniform solution

2010 ◽  
Vol 42 (4) ◽  
pp. 267-278 ◽  
Author(s):  
Wenyu Chen ◽  
Jianmin Zheng ◽  
Yiyu Cai
Keyword(s):  
Molecular Surfaces ◽  
Uniform Solution

Triangulation of Molecular Surfaces

1990 ◽  
pp. 115-121
Author(s):  
W. Heiden ◽  
M. Schlenkrich ◽  
C.-D. Zachmann ◽  
J. Brickmann
Keyword(s):  
Molecular Surfaces

Some Aspects of the Molecular Surface of Sandalwood Odour Molecules. Conformational Calculations on Sandalwood Odour VII

1992 ◽  
Vol 47 (12) ◽  
pp. 1759-1763 ◽  
Author(s):  
Gerhard Buchbauer ◽  
Alexander Stock ◽  
Petra Weiß ◽  
Susanne Winiwarter ◽  
Peter Wolschann
Keyword(s):  
Specific Surface ◽  
Molecular Surface ◽  
Molecular Surfaces ◽  
Surface Part ◽  
Significant Pattern ◽  
Sandalwood Odour ◽  
Conformational Calculations

The molecular surfaces of five different sandalwood odour molecules were investigated and subsequently used as a basis for a mean surface and compared to each other. It was possible to find a specific surface part with a significant pattern, which seems to be necessary for evoking the typical odour.

A molecular contact theory for simulating polarization: application to dielectric constant prediction

2019 ◽  
Vol 21 (27) ◽  
pp. 14846-14857 ◽  
Author(s):  
Théophile Gaudin ◽  
Haibo Ma
Keyword(s):  
Dielectric Constant ◽  
Binary Mixtures ◽  
Electrolyte Solutions ◽  
Contact Theory ◽  
Molecular Surfaces ◽  
Good Insight ◽  
Local Polarization

Contacts between molecular surfaces give good insight to local polarization and predict dielectric constant for both pure liquids and binary mixtures with ∼20% error, leading to new perspectives of efficient rationalization of electrolyte solutions.

Sign in / Sign up

Export Citation Format

Share Document