Literature DB >> 9937037

Optimally smooth norm-conserving pseudopotentials.

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Abstract

Year:  1985        PMID： 9937037     DOI： 10.1103/physrevb.32.8412

Source DB:  PubMed          Journal:  Phys Rev B Condens Matter        ISSN： 0163-1829


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  16 in total

1.  Ab initio spectroscopy and ionic conductivity of water under Earth mantle conditions.

Authors:  Viktor Rozsa; Ding Pan; Federico Giberti; Giulia Galli
Journal:  Proc Natl Acad Sci U S A       Date:  2018-06-18       Impact factor: 11.205

2.  Quantitative first-principles calculations of valence and core excitation spectra of solid C60.

Authors:  F Fossard; G Hug; K Gilmore; J J Kas; J J Rehr; F D Vila; E L Shirley
Journal:  Phys Rev B       Date:  2017-03-08       Impact factor: 4.036

3.  Structure and dynamics of the peptide strand KRFK from the thrombospondin TSP-1 in water.

Authors:  W Taleb Bendiab; B Benomrane; B Bounaceur; M Dauchez; A M Krallafa
Journal:  J Mol Model       Date:  2018-02-14       Impact factor: 1.810

4.  Dielectric properties of water under extreme conditions and transport of carbonates in the deep Earth.

Authors:  Ding Pan; Leonardo Spanu; Brandon Harrison; Dimitri A Sverjensky; Giulia Galli
Journal:  Proc Natl Acad Sci U S A       Date:  2013-03-19       Impact factor: 11.205

5.  The phase diagram of high-pressure superionic ice.

Authors:  Jiming Sun; Bryan K Clark; Salvatore Torquato; Roberto Car
Journal:  Nat Commun       Date:  2015-08-28       Impact factor: 14.919

6.  Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems.

Authors:  John A Keith; Valentin Vassilev-Galindo; Bingqing Cheng; Stefan Chmiela; Michael Gastegger; Klaus-Robert Müller; Alexandre Tkatchenko
Journal:  Chem Rev       Date:  2021-07-07       Impact factor: 60.622

7.  Resistive graphene humidity sensors with rapid and direct electrical readout.

Authors:  Anderson D Smith; Karim Elgammal; Frank Niklaus; Anna Delin; Andreas C Fischer; Sam Vaziri; Fredrik Forsberg; Mikael Råsander; Håkan Hugosson; Lars Bergqvist; Stephan Schröder; Satender Kataria; Mikael Östling; Max C Lemme
Journal:  Nanoscale       Date:  2015-11-02       Impact factor: 7.790

8.  Structural flexibility of 4,4'-methylene diphenyl diisocyanate (4,4'-MDI): evidence from first principles calculations.

Authors:  Pawel Rodziewicz; Jakub Goclon
Journal:  J Mol Model       Date:  2014-02-13       Impact factor: 1.810

9.  The fate of carbon dioxide in water-rich fluids under extreme conditions.

Authors:  Ding Pan; Giulia Galli
Journal:  Sci Adv       Date:  2016-10-12       Impact factor: 14.136

10.  Electron affinity of liquid water.

Authors:  Alex P Gaiduk; Tuan Anh Pham; Marco Govoni; Francesco Paesani; Giulia Galli
Journal:  Nat Commun       Date:  2018-01-16       Impact factor: 14.919
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