Literature DB >> 9991856

Solution of Schrödinger's equation for large systems.

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Abstract

Year:  1989        PMID： 9991856     DOI： 10.1103/physrevb.40.12255

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


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  12 in total

1.  A joint effort with lasting impact.

Authors:  Jürgen Hafner
Journal:  Nat Mater       Date:  2010-09       Impact factor: 43.841

2.  An efficient and accurate molecular alignment and docking technique using ab initio quality scoring.

Authors:  László Füsti-Molnár; Kenneth M Merz
Journal:  J Chem Phys       Date:  2008-07-14       Impact factor: 3.488

3.  A unique Co@CoO catalyst for hydrogenolysis of biomass-derived 5-hydroxymethylfurfural to 2,5-dimethylfuran.

Authors:  Shuang Xiang; Lin Dong; Zhi-Qiang Wang; Xue Han; Luke L Daemen; Jiong Li; Yongqiang Cheng; Yong Guo; Xiaohui Liu; Yongfeng Hu; Anibal J Ramirez-Cuesta; Sihai Yang; Xue-Qing Gong; Yanqin Wang
Journal:  Nat Commun       Date:  2022-06-27       Impact factor: 17.694

4.  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

5.  The crystal structures, phase stabilities, electronic structures and bonding features of iridium borides from first-principles calculations.

Authors:  Jinquan Zhang; Yuanyuan Jin; Chuanzhao Zhang; Yanqi Wang; Libiao Tang; Song Li; Meng Ju; Jingjing Wang; Weiguo Sun; Xilong Dou
Journal:  RSC Adv       Date:  2022-04-14       Impact factor: 3.361

6.  Durable and self-hydrating tungsten carbide-based composite polymer electrolyte membrane fuel cells.

Authors:  Weiqing Zheng; Liang Wang; Fei Deng; Stephen A Giles; Ajay K Prasad; Suresh G Advani; Yushan Yan; Dionisios G Vlachos
Journal:  Nat Commun       Date:  2017-09-04       Impact factor: 14.919

7.  Self-supported hydrogenolysis of aromatic ethers to arenes.

Authors:  Qinglei Meng; Jiang Yan; Huizhen Liu; Chunjun Chen; Shaopeng Li; Xiaojun Shen; Jinliang Song; Lirong Zheng; Buxing Han
Journal:  Sci Adv       Date:  2019-11-22       Impact factor: 14.136

8.  A computational-experimental investigation on high ethylene selectivity in ethanol dehydration reaction found on WOx/ZrO2-activated carbon bi-support systems.

Authors:  Meena Rittiruam; Bunjerd Jongsomjit; Supareak Praserthdam
Journal:  Sci Rep       Date:  2019-12-24       Impact factor: 4.379

9.  Impact of Anchoring Groups on Ballistic Transport: Single Molecule vs Monolayer Junctions.

Authors:  Veronika Obersteiner; David A Egger; Egbert Zojer
Journal:  J Phys Chem C Nanomater Interfaces       Date:  2015-08-13       Impact factor: 4.126

10.  Nickel supported on nitrogen-doped carbon nanotubes as hydrogen oxidation reaction catalyst in alkaline electrolyte.

Authors:  Zhongbin Zhuang; Stephen A Giles; Jie Zheng; Glen R Jenness; Stavros Caratzoulas; Dionisios G Vlachos; Yushan Yan
Journal:  Nat Commun       Date:  2016-01-14       Impact factor: 14.919
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