Literature DB >> 9979237

Periodic boundary conditions in ab initio calculations.

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Abstract

Year:  1995        PMID： 9979237     DOI： 10.1103/physrevb.51.4014

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


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  75 in total

1.  Arginine-phosphate salt bridges between histones and DNA: intermolecular actuators that control nucleosome architecture.

Authors:  Tahir I Yusufaly; Yun Li; Gautam Singh; Wilma K Olson
Journal:  J Chem Phys       Date:  2014-10-28       Impact factor: 3.488

Review 2.  Point defects in ZnO: an approach from first principles.

Authors:  Fumiyasu Oba; Minseok Choi; Atsushi Togo; Isao Tanaka
Journal:  Sci Technol Adv Mater       Date:  2011-05-27       Impact factor: 8.090

3.  The role of molybdenum in suppressing cold dwell fatigue in titanium alloys.

Authors:  Adam J Ready; Peter D Haynes; Blazej Grabowski; David Rugg; Adrian P Sutton
Journal:  Proc Math Phys Eng Sci       Date:  2017-07-05       Impact factor: 2.704

Review 4.  Reactivity of CO2 on the surfaces of magnetite (Fe3O4), greigite (Fe3S4) and mackinawite (FeS).

Authors:  David Santos-Carballal; Alberto Roldan; Nelson Y Dzade; Nora H de Leeuw
Journal:  Philos Trans A Math Phys Eng Sci       Date:  2018-01-13       Impact factor: 4.226

5.  Generating electricity by moving a droplet of ionic liquid along graphene.

Authors:  Jun Yin; Xuemei Li; Jin Yu; Zhuhua Zhang; Jianxin Zhou; Wanlin Guo
Journal:  Nat Nanotechnol       Date:  2014-04-06       Impact factor: 39.213

6.  Evidence for a Solid-Electrolyte Inductive Effect in the Superionic Conductor Li10Ge1-xSnxP2S12.

Authors:  Sean P Culver; Alexander G Squires; Nicolò Minafra; Callum W F Armstrong; Thorben Krauskopf; Felix Böcher; Cheng Li; Benjamin J Morgan; Wolfgang G Zeier
Journal:  J Am Chem Soc       Date:  2020-12-07       Impact factor: 15.419

7.  Amyloid beta oligomers: how pH influences over trimer and pentamer structures?

Authors:  Carla A Paredes-Rosan; Diego E Valencia; Haruna L Barazorda-Ccahuana; Jorge A Aguilar-Pineda; Badhin Gómez
Journal:  J Mol Model       Date:  2019-12-13       Impact factor: 1.810

8.  CO, CO2 and H2 adsorption on ZnO, CeO2, and ZnO/CeO2 surfaces: DFT simulations.

Authors:  Walter G Reimers; Miguel A Baltanás; María M Branda
Journal:  J Mol Model       Date:  2014-06-07       Impact factor: 1.810

9.  Co-adsorption of O2 and C2H4 on a Free Gold Dimer Probed via Infrared Photodissociation Spectroscopy.

Authors:  Sandra M Lang; Thorsten M Bernhardt; Joost M Bakker; Bokwon Yoon; Uzi Landman
Journal:  J Am Soc Mass Spectrom       Date:  2019-07-12       Impact factor: 3.109

10.  The mechanism of hydrogen uptake in [NiFe] hydrogenase: first-principles molecular dynamics investigation of a model compound.

Authors:  Sara Furlan; Giovanni La Penna
Journal:  J Biol Inorg Chem       Date:  2011-09-03       Impact factor: 3.358
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