Basis-set extrapolation
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference35 articles.
1. K.K. Irikura, D.J. Frurip (Eds.), ACS Symposium Series 677: Computational Thermochemistry, American Chemical Society, Washington, DC, 1998.
2. A new semi-empirical method of correcting large-scale configuration interaction calculations for incomplete dynamic correlation of electrons
3. Scaling all correlation energy in perturbation theory calculations of bond energies and barrier heights
4. Parameters for scaling the correlation energy of the bonds silicon-hydrogen, phosphorus-hydrogen- sulfur-hydrogen, and chlorine-hydrogen and application to the reaction of silyl radical with silane
5. Improved general scaling factors and systematic tests of the SAC method for estimating correlation energies of molecules
Cited by 581 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. Unveiling the multifaceted potential of (E)-N-(4-Chlorophenyl)-1-(thiophen-2-yl) methanimine with special reference to solution-state fluorescence, synthesis, electronic structure, antimicrobial, antibiofilm, larvicidal activities, toxicity, docking and dynamics;Journal of Molecular Structure;2024-04
2. High-Throughput Predictions of Accurate Enthalpies of Formation for Larger Molecules Utilizing the Bond Difference Correction Method;The Journal of Physical Chemistry Letters;2024-01-22
3. Theoretical investigation of substitution effect on the sixth and seventh positions of coumarin derivatives;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2024-01
4. Li6E5Li6: Tetrel Sandwich Complexes with 10‐π‐Electrons;Angewandte Chemie;2023-12-27
5. Li6E5Li6: Tetrel Sandwich Complexes with 10‐π‐Electrons;Angewandte Chemie International Edition;2023-12-27
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