Literature DB >> 9992372

Ab initio multicenter tight-binding model for molecular-dynamics simulations and other applications in covalent systems.

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Abstract

Year:  1989        PMID: 9992372     DOI: 10.1103/physrevb.40.3979

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


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  9 in total

1.  Mechanical, electronic, and optical properties of Bi₂S₃ and Bi₂Se₃ compounds: first principle investigations.

Authors:  Husnu Koc; Hacı Ozisik; Engin Deligöz; Amirullah M Mamedov; Ekmel Ozbay
Journal:  J Mol Model       Date:  2014-03-16       Impact factor: 1.810

Review 2.  New Approaches to the Computer Simulation of Amorphous Alloys: A Review.

Authors:  Ariel A Valladares; Juan A Díaz-Celaya; Jonathan Galván-Colín; Luis M Mejía-Mendoza; José A Reyes-Retana; Renela M Valladares; Alexander Valladares; Fernando Alvarez-Ramirez; Dongdong Qu; Jun Shen
Journal:  Materials (Basel)       Date:  2011-04-13       Impact factor: 3.623

3.  Electrostatic complementarity in an aldose reductase complex from ultra-high-resolution crystallography and first-principles calculations.

Authors:  Nicolas Muzet; Benoît Guillot; Christian Jelsch; Eduardo Howard; Claude Lecomte
Journal:  Proc Natl Acad Sci U S A       Date:  2003-07-10       Impact factor: 11.205

4.  Large area molybdenum disulphide- epitaxial graphene vertical Van der Waals heterostructures.

Authors:  Debora Pierucci; Hugo Henck; Carl H Naylor; Haikel Sediri; Emmanuel Lhuillier; Adrian Balan; Julien E Rault; Yannick J Dappe; François Bertran; Patrick Le Fèvre; A T Charlie Johnson; Abdelkarim Ouerghi
Journal:  Sci Rep       Date:  2016-06-01       Impact factor: 4.379

5.  Picosecond amorphization of SiO2 stishovite under tension.

Authors:  Masaaki Misawa; Emina Ryuo; Kimiko Yoshida; Rajiv K Kalia; Aiichiro Nakano; Norimasa Nishiyama; Fuyuki Shimojo; Priya Vashishta; Fumihiro Wakai
Journal:  Sci Adv       Date:  2017-05-12       Impact factor: 14.136

6.  Targeting Beta-Blocker Drug-Drug Interactions with Fibrinogen Blood Plasma Protein: A Computational and Experimental Study.

Authors:  Michael González-Durruthy; Riccardo Concu; Laura F Osmari Vendrame; Ivana Zanella; Juan M Ruso; M Natália D S Cordeiro
Journal:  Molecules       Date:  2020-11-19       Impact factor: 4.411

7.  Sculpting the band gap: a computational approach.

Authors:  Kiran Prasai; Parthapratim Biswas; D A Drabold
Journal:  Sci Rep       Date:  2015-10-22       Impact factor: 4.379

8.  The determining factor of a preferred orientation of GaN domains grown on m-plane sapphire substrates.

Authors:  Miyeon Jue; Cheol-Woon Kim; Seoung-Hun Kang; Hansub Yoon; Dongsoo Jang; Young-Kyun Kwon; Chinkyo Kim
Journal:  Sci Rep       Date:  2015-11-09       Impact factor: 4.379

9.  Density-functional tight-binding: basic concepts and applications to molecules and clusters.

Authors:  Fernand Spiegelman; Nathalie Tarrat; Jérôme Cuny; Leo Dontot; Evgeny Posenitskiy; Carles Martí; Aude Simon; Mathias Rapacioli
Journal:  Adv Phys X       Date:  2020-02-18
  9 in total

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