Studying Properties of Floppy Molecules Using Diffusion Monte Carlo
Author:
Affiliation:
1. Department of Chemistry, The Ohio State University, 100 W. 18th Ave., Columbus, Ohio 43210
Publisher
American Chemical Society
Link
https://pubs.acs.org/doi/pdf/10.1021/bk-2012-1094.ch012
Reference32 articles.
1. Quantum Monte Carlo studies of vibrational states in molecules and clusters
2. Diffusion Monte Carlo approaches for investigating the structure and vibrational spectra of fluxional systems
3. Ground and excited states of the complex of CO with water: A diffusion Monte Carlo study
4. Quantum Monte Carlo study of helium clusters doped with nitrous oxide: Quantum solvation and rotational dynamics
5. Quantum Monte Carlo methods for rovibrational states of molecular systems
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. Using Diffusion Monte Carlo Wave Functions to Analyze the Vibrational Spectra of H7O3+ and H9O4+;The Journal of Physical Chemistry A;2021-08-16
2. Tunneling Splittings in Water Clusters from Path Integral Molecular Dynamics;The Journal of Physical Chemistry Letters;2019-11-04
3. Tunneling splittings from path-integral molecular dynamics using a Langevin thermostat;The Journal of Chemical Physics;2018-06-21
4. Rotation/Torsion Coupling in H5+, D5+, H4D+, and HD4+ Using Diffusion Monte Carlo;The Journal of Physical Chemistry A;2015-08-24
5. Efficient anharmonic vibrational spectroscopy for large molecules using local-mode coordinates;The Journal of Chemical Physics;2014-09-14
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