molecular integral
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Supramolecular inclusion-based molecular integral rigidity: a feasible strategy for controlling the structural connectivity of uranyl polyrotaxane networks

2015 ◽  
Vol 51 (60) ◽  
pp. 11990-11993 ◽  
Author(s):  
Lei Mei ◽  
Lin Wang ◽  
Li-yong Yuan ◽  
Shu-wen An ◽  
Yu-liang Zhao ◽  
...  
Keyword(s):  
Structural Connectivity ◽  
Molecular Integral ◽  
Integration Strategy

The assembly of 2D uranyl–organic rotaxane networks with well-defined channels has been achieved through an integration strategy from jointed pseudorotaxanes.

Molecular Integral Evaluation

2014 ◽  
pp. 336-432 ◽  
Author(s):  
Trygve Helgaker ◽  
Poul Jørgensen ◽  
Jeppe Olsen
Keyword(s):  
Molecular Integral ◽  
Integral Evaluation

In Silico Screening of Bioactive and Biomimetic Solutes Using Molecular Integral Equation Theory

2011 ◽  
Vol 17 (17) ◽  
pp. 1695-1708 ◽  
Author(s):  
David S. Palmer ◽  
Gennady N. Chuev ◽  
Ekaterina L. Ratkova ◽  
Maxim V. Fedorov
Keyword(s):  
Integral Equation ◽  
In Silico ◽  
Integral Equation Theory ◽  
In Silico Screening ◽  
Molecular Integral

An Accurate Prediction of Hydration Free Energies by Combination of Molecular Integral Equations Theory with Structural Descriptors

2010 ◽  
Vol 114 (37) ◽  
pp. 12068-12079 ◽  
Author(s):  
Ekaterina L. Ratkova ◽  
Gennady N. Chuev ◽  
Volodymyr P. Sergiievskyi ◽  
Maxim V. Fedorov
Keyword(s):  
Integral Equations ◽  
Accurate Prediction ◽  
Free Energies ◽  
Molecular Integral ◽  
Structural Descriptors
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