Toward an Accurate and Efficient Theory of Physisorption. I. Development of an Augmented Density-Functional Theory Model-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Toward an Accurate and Efficient Theory of Physisorption. I. Development of an Augmented Density-Functional Theory Model

Published:2008-09-05 Issue:40 Volume:112 Page:9993-10005
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Murdachaew Garold¹,de Gironcoli Stefano²,Scoles Giacinto³

Affiliation:

1. SISSA-ISAS: International School for Advanced Studies, Via Beirut 2-4, I-34014 Trieste, Italy

2. SISSA-ISAS and CNR-INFM DEMOCRITOS National Simulation Centre, Trieste, Italy

3. SISSA-ISAS, CNR-INFM DEMOCRITOS, and Department of Chemistry, Princeton University, Princeton, New Jersey 08544

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp800974k

Reference88 articles.

1. The adiabatic molecule–metal surface interaction: Theoretical approaches

2. Inhomogeneous Electron Gas

3. Self-Consistent Equations Including Exchange and Correlation Effects

4. ELECTRONIC STRUCTURE AND CATALYSIS ON METAL SURFACES

5. Analysis of methane-to-methanol conversion on clean and defective Rh surfaces

Cited by 23 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Nonlocal van der Waals functionals: The case of rare-gas dimers and solids;The Journal of Chemical Physics;2013-05-28

2. DFT+U Investigation of Propene Oxidation over Bismuth Molybdate: Active Sites, Reaction Intermediates, and the Role of Bismuth;The Journal of Physical Chemistry C;2013-03-29

3. Bond energy decomposition analysis for subsystem density functional theory;The Journal of Chemical Physics;2013-03-07

4. Interactions between Methane and Polycyclic Aromatic Hydrocarbons: A High Accuracy Benchmark Study;Journal of Chemical Theory and Computation;2012-11-16

5. Theoretical Investigation of Selenium Interferences in Inductively Coupled Plasma Mass Spectrometry;The Journal of Physical Chemistry A;2012-08-30

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号京ICP备18003416号-3