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Pronervon T
Known as:
Scheffler Brand of Temazepam
National Institutes of Health
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Temazepam
Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
2019
2019
The AFLOW Fleet for Materials Discovery
C. Toher
,
C. Oses
,
+48 authors
S. Curtarolo
Handbook of Materials Modeling
2019
Corpus ID: 40993937
The traditional paradigm for materials discovery has been recently expanded to incorporate substantial data driven research. With…
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2018
2018
Benchmarking several van der Waals dispersion approaches for the description of intermolecular interactions.
J. Claudot
,
W. Kim
,
+4 authors
S. Lebègue
The Journal of chemical physics
2018
Corpus ID: 46743257
Seven methods, including three van der Waals density functionals (vdW-DFs) and four different variants of the Tkatchenko…
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2017
2017
A General Route to Include Pauli Repulsion and Quantum Dispersion Effects in QM/MM Approaches.
Tommaso Giovannini
,
Piero Lafiosca
,
C. Cappelli
Journal of chemical theory and computation
2017
Corpus ID: 45310668
A methodology to account for nonelectrostatic interactions in Quantum Mechanical (QM)/Molecular Mechanics (MM) approaches is…
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2016
2016
Organic crystal polymorphism: a benchmark for dispersion-corrected mean-field electronic structure methods.
J. Brandenburg
,
S. Grimme
Acta crystallographica Section B, Structural…
2016
Corpus ID: 9594180
We analyze the energy landscape of the sixth crystal structure prediction blind test targets with various first principles and…
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Highly Cited
2015
Highly Cited
2015
First-Principles Molecular Structure Search with a Genetic Algorithm
A. Supady
,
V. Blum
,
C. Baldauf
J. Chem. Inf. Model.
2015
Corpus ID: 1721652
The identification of low-energy conformers for a given molecule is a fundamental problem in computational chemistry and…
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Highly Cited
2014
Highly Cited
2014
Extending the applicability of the Tkatchenko-Scheffler dispersion correction via iterative Hirshfeld partitioning.
T. Bučko
,
S. Lebègue
,
J. Ángyán
,
J. Hafner
The Journal of chemical physics
2014
Corpus ID: 39079442
Recently we have demonstrated that the applicability of the Tkatchenko-Scheffler (TS) method for calculating dispersion…
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Highly Cited
2013
Highly Cited
2013
Many-body dispersion interactions in molecular crystal polymorphism.
N. Marom
,
R. Distasio
,
+5 authors
A. Tkatchenko
Angewandte Chemie
2013
Corpus ID: 21234979
Polymorphs of molecular crystals are often very close in energy, yet they may possess very different physical and chemical…
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Highly Cited
2012
Highly Cited
2012
Benzene adsorbed on metals: Concerted effect of covalency and van der Waals bonding
W. Liu
,
J. Carrasco
,
B. Santra
,
A. Michaelides
,
M. Scheffler
,
A. Tkatchenko
2012
Corpus ID: 35213781
The adsorption of aromatic molecules on metal surfaces plays a key role in condensed matter physics and functional materials…
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2012
2012
Water adsorption at two unsolvated peptides with a protonated lysine residue: from self-solvation to solvation.
S. Chutia
,
M. Rossi
,
V. Blum
The journal of physical chemistry. B
2012
Corpus ID: 16034731
We study the initial steps of the interaction of water molecules with two unsolvated peptides: Ac-Ala(5)-LysH(+) and Ac-Ala(8…
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Review
2007
Review
2007
Against Bioethics
S. Hurst
Annals of Internal Medicine
2007
Corpus ID: 54368210
Baron J. 248 pages. Cumberland, RI: The MIT Press; 2006. $29.00. ISBN 0262025965. Order at mitpress.mit.edu. Field of medicine…
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