CNDO/2 calculations of cluster models of zeolite crystals including their electrostatic field and its effect on the interacting molecules
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference8 articles.
1. Application of Molecular Orbital Theory to Catalysis
2. Automatic geometry optimization for molecules withd orbitals. III. TheEHT method with electrostatic corrections
3. Quantum chemical study of the electronic structure of NA-X and NA-Y zeolites
4. Crystal structures of hydrated and dehydrated synthetic zeolites with faujasite aluminosilicate frameworks. I. The dehydrated sodium, potassium, and silver forms
Cited by 20 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. The influence of the nature and size of the cluster models on the electronic properties of zeolites in molecular modelling studies;Recent Advances In Basic and Applied Aspects of Industrial Catalysis, Proceedings of 13th National Symposium and Silver Jubilee Symposium of Catalysis of India;1998
2. Modification of the local self‐consistent field method for modeling surface reactivity of covalent solids;International Journal of Quantum Chemistry;1996-01
3. Periodic Hartree-Fock study of siliceous mordenite;The Journal of Physical Chemistry;1993-06
4. Lattice dynamics of zeolitic silica polymorphs;The Journal of Physical Chemistry;1990-03
5. On Lattice Dynamics, Stability and Acidity of Zeolites;Guidelines for Mastering the Properties of Molecular Sieves;1990
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