On the Effects of Changing Gaussian Program Version and SCRF Defining Parameters: Isopropylamine as a Case Study
Author:
Affiliation:
1. Química-Física Molecular, Departamento de Química, FCTUC, Universidade de Coimbra
2. CICECO, Departamento de Química, Universidade de Aveiro
Publisher
The Chemical Society of Japan
Subject
General Chemistry
Link
http://www.journal.csj.jp/doi/pdf/10.1246/bcsj.20120016
Reference41 articles.
1. Solid-State 15N CPMAS NMR and Computational Analysis of Ligand Hapticity in Rhodium(η-diene) Poly(pyrazolyl)borate Complexes
2. 51V NMR parameters of VOCl3: static and dynamic density functional study from the gas phase to the bulk
3. Theoretical study of tautomerization and isomerization of methylamino- and phenylamino-substituted cyclic azaphospholines, oxaphospholines and thiaphospholines in gas and aqueous phases
4. Theoretical Study of the Effects of Solvation, Substitution, and Structure on the Properties of Imidazolines, Oxazolines, and Thiazolines
5. Conformational and isomerizational studies of 3-N,N-dimethylhydrazino-2-acetyl propenenitrile using X-ray analysis, NMR and vibrational spectra, and ab initio calculations
Cited by 10 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. Study of nonlinear optical properties of superhalogen and superalkali doped phosphorene;Journal of Molecular Structure;2021-07
2. DFT study of superhalogen (AlF4) doped boron nitride for tuning their nonlinear optical properties;Optik;2021-04
3. Dielectric continuum methods for quantum chemistry;WIREs Computational Molecular Science;2021-03-23
4. Conformational study and reassessment of the vibrational assignments for Norspermidine;SPECTROCHIM ACTA A;2016
5. The binding mechanism of a novel nicotinamide isostere inhibiting with TNKSs: a molecular dynamic simulation and binding free energy calculation;Journal of Biomolecular Structure and Dynamics;2015-12-09
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