Accurate vibrational spectra of methylpotassium using a hybrid CCSD(t)/b3LYP approach and a variational treatment
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference32 articles.
1. DFT quartic force field of acetonitrile by using a generalized least-squares procedure
2. Construction of an accurate quartic force field by using generalised least-squares fitting and experimental design
3. ; ; ; In Computational Methods in Sciences and Engineering 2003; , Ed., World Scientific Publishing: Singapore, 2003; p 99.
Cited by 22 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. On the separability of large-amplitude motions in anharmonic frequency calculations;Physical Chemistry Chemical Physics;2020
2. Ab-initio calculations of the IR spectra of dicyanodiacetylene (C6N2) beyond the harmonic approximation;Chemical Physics Letters;2019-05
3. Theoretical Investigation of the Infrared Spectrum of 5‐Bromo‐2,4‐pentadiynenitrile from a CCSD(T)/B3LYP Anharmonic Potential;ChemPhysChem;2018-02-16
4. Chirality effects in gas-phase spectroscopy and photophysics of molecular and ionic complexes: contribution of low and room temperature studies;International Reviews in Physical Chemistry;2014-04-03
5. Vibrational energy levels of difluorodioxirane computed with variational and perturbative methods from a hybrid force field;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2014-02
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