Warning: Undefined array key "mm" in /www/wwwroot/www.ai-bt.com/si.php on line 10 Deprecated: trim(): Passing null to parameter #1 ($string) of type string is deprecated in /www/wwwroot/www.ai-bt.com/si.php on line 10 Simplified method for calculating the energy of weakly interacting fragments.

Literature DB >> 9935980

Simplified method for calculating the energy of weakly interacting fragments.

Abstract

Year: 1985 PMID： 9935980 DOI： 10.1103/physrevb.31.1770

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

Keyword Cloud
Cited

× No keyword cloud information.

11 in total

1. Density-functional theory study of gramicidin A ion channel geometry and electronic properties.

Authors: Milica Todorović; David R Bowler; Michael J Gillan; Tsuyoshi Miyazaki
Journal: J R Soc Interface Date: 2013-09-25 Impact factor: 4.118

2. Density functional theory study of small nickel clusters.

Authors: Satyender Goel; Artem E Masunov
Journal: J Mol Model Date: 2011-05-20 Impact factor: 1.810

Review 3. 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

4. DFTB3: Extension of the self-consistent-charge density-functional tight-binding method (SCC-DFTB).

Authors: Michael Gaus; Qiang Cui; Marcus Elstner
Journal: J Chem Theory Comput Date: 2012-04-10 Impact factor: 6.006

5. First-principles calculations of hybrid inorganic-organic interfaces: from state-of-the-art to best practice.

Authors: Oliver T Hofmann; Egbert Zojer; Lukas Hörmann; Andreas Jeindl; Reinhard J Maurer
Journal: Phys Chem Chem Phys Date: 2021-03-25 Impact factor: 3.676

6. Antioxidant Properties of Kynurenines: Density Functional Theory Calculations.

Authors: Aleksandr V Zhuravlev; Gennady A Zakharov; Boris F Shchegolev; Elena V Savvateeva-Popova
Journal: PLoS Comput Biol Date: 2016-11-18 Impact factor: 4.475

7. Engineering the magnetic coupling and anisotropy at the molecule-magnetic surface interface in molecular spintronic devices.

Authors: Victoria E Campbell; Monica Tonelli; Irene Cimatti; Jean-Baptiste Moussy; Ludovic Tortech; Yannick J Dappe; Eric Rivière; Régis Guillot; Sophie Delprat; Richard Mattana; Pierre Seneor; Philippe Ohresser; Fadi Choueikani; Edwige Otero; Florian Koprowiak; Vijay Gopal Chilkuri; Nicolas Suaud; Nathalie Guihéry; Anouk Galtayries; Frederic Miserque; Marie-Anne Arrio; Philippe Sainctavit; Talal Mallah
Journal: Nat Commun Date: 2016-12-08 Impact factor: 14.919