Theoretical spectroscopy using molecular dynamics: theory and application to CH5+ and its isotopologues
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2013/CP/C3CP44523B
Reference179 articles.
1. Variational quantum approaches for computing vibrational energies of polyatomic molecules
2. Ab-Initio-Based Potential Energy Surfaces for Complex Molecules and Molecular Complexes
3. The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets
4. Dynamics and Infrared Spectroscopy of the Protonated Water Dimer
5. Full-dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. I. Hamiltonian setup and analysis of the ground vibrational state
Cited by 50 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. PyRAMD Scheme: A Protocol for Computing the Infrared Spectra of Polyatomic Molecules Using ab Initio Molecular Dynamics;Spectroscopy Journal;2024-09-13
2. Theoretical infrared spectroscopy of protonated methane isotopologues;Physical Chemistry Chemical Physics;2024
3. Molecular Dynamics Simulations and Vibrational Spectroscopy;Comprehensive Computational Chemistry;2024
4. Hydration Rearrangement in the 4‐Aminobenzonitrile−(H2O)2 Cluster Induced by Photoionization: The Effect of Solvent‐Solvent Interactions;Chemistry – A European Journal;2023-07-04
5. Infrared Spectra at Coupled Cluster Accuracy from Neural Network Representations;Journal of Chemical Theory and Computation;2022-08-23
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