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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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2017
2017
A methodology to account for nonelectrostatic interactions in Quantum Mechanical (QM)/Molecular Mechanics (MM) approaches is… Expand
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2017
2017
The traditional paradigm for materials discovery has been recently expanded to incorporate substantial data driven research. With… 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
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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Highly Cited
2015
Highly Cited
2015
The identification of low-energy conformers for a given molecule is a fundamental problem in computational chemistry and… Expand
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Highly Cited
2014
Highly Cited
2014
Recently we have demonstrated that the applicability of the Tkatchenko-Scheffler (TS) method for calculating dispersion… Expand
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Highly Cited
2013
Highly Cited
2013
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
We study the initial steps of the interaction of water molecules with two unsolvated peptides: Ac-Ala(5)-LysH(+) and Ac-Ala(8… Expand
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