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Pronervon T

Known as: Scheffler Brand of Temazepam 
 
National Institutes of Health

Papers overview

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2018
2018
Seven methods, including three van der Waals density functionals (vdW-DFs) and four different variants of the Tkatchenko… Expand
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2018
2018
Mixed multiscale quantum/molecular mechanics (QM/MM) models are widely used to explore the structure, reactivity, and electronic… Expand
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2017
2017
A methodology to account for nonelectrostatic interactions in Quantum Mechanical (QM)/Molecular Mechanics (MM) approaches is… Expand
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2016
2016
We analyze the energy landscape of the sixth crystal structure prediction blind test targets with various first principles and… Expand
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2016
2016
The study of matter interacting with external fields is important to understand and design materials with desired (opto… Expand
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2015
2015
The identification of low-energy conformers for a given molecule is a fundamental problem in computational chemistry and… Expand
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2014
2014
Recently we have demonstrated that the applicability of the Tkatchenko-Scheffler (TS) method for calculating dispersion… Expand
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2012
2012
Polymorphs of molecular crystals are often very close in energy, yet they may possess very different physical and chemical… Expand
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Highly Cited
2012
Highly Cited
2012
The adsorption of aromatic molecules on metal surfaces plays a key role in condensed matter physics and functional materials… Expand
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2012
2012
Molecular beacon is a DNA probe containing a sequence complementary to the target that is flanked by self-complementary termini… Expand
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