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Pronervon T

Known as: Scheffler Brand of Temazepam 
 
National Institutes of Health

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Temazepam

Papers overview

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2018
2018
Benchmarking several van der Waals dispersion approaches for the description of intermolecular interactions.
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
Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models.
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 General Route to Include Pauli Repulsion and Quantum Dispersion Effects in QM/MM Approaches.
A methodology to account for nonelectrostatic interactions in Quantum Mechanical (QM)/Molecular Mechanics (MM) approaches is… Expand
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2016
2016
Organic crystal polymorphism: a benchmark for dispersion-corrected mean-field electronic structure methods.
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
Efficient modelling of linear electronic polarization in materials using atomic response functions
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
First-Principles Molecular Structure Search with a Genetic Algorithm
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
Extending the applicability of the Tkatchenko-Scheffler dispersion correction via iterative Hirshfeld partitioning.
Recently we have demonstrated that the applicability of the Tkatchenko-Scheffler (TS) method for calculating dispersion… Expand
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2012
2012
Many-body dispersion interactions in molecular crystal polymorphism.
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
Benzene adsorbed on metals: Concerted effect of covalency and van der Waals bonding
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
DFT study of the interaction between the conjugated fluorescein and dabcyl system, using fluorescene quenching method
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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