Beyond the MNDO model: Methodical considerations and numerical results
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference95 articles.
1. Ground states of molecules. 38. The MNDO method. Approximations and parameters
2. Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
3. Optimization of parameters for semiempirical methods I. Method
4. Applications of quantum mechanical molecular models to chemical problems. Part 70. Quantum mechanical molecular models
5. Semiempirical methods: current status and perspectives
Cited by 151 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. Simplified quantum chemistry methods to evaluate non‐linear optical properties of large systems;WIREs Computational Molecular Science;2023-11-05
2. Hybrid Density Functional Tight Binding (DFTB)─Molecular Mechanics Approach for a Low-Cost Expansion of DFTB Applicability;Journal of Chemical Theory and Computation;2023-07-14
3. Computational Approaches for Organic Semiconductors: From Chemical and Physical Understanding to Predicting New Materials;Chemical Reviews;2023-05-04
4. An improved parameterization procedure for NDDO-descendant semi-empirical methods;Journal of Molecular Modeling;2023-03-28
5. Functional group corrections to the GFN2-xTB and PM6 semiempirical methods for noncovalent interactions in alkanes and alkenes;The Journal of Chemical Physics;2023-03-22
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