Molecular dynamics investigations of chlorine peroxide dissociation on a neural network ab initio potential energy surface
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry
Link
http://link.springer.com/content/pdf/10.1007/s00214-012-1158-2.pdf
Reference68 articles.
1. Molina LT, Molina MJ (1987) Production of chlorine oxide (Cl2O2) from the self-reaction of the chlorine oxide (ClO) radical. J Phys Chem 91(2):433–436
2. Cheng B-M, Lee Y-P (1989) Production and trapping of gaseous dimeric ClO: the infrared spectrum of chlorine peroxide (ClOOCl) in solid argon. J Chem Phys 90(11):5930–5935
3. Cox RA, Hayman GD (1988) The stability and photochemistry of dimers of the ClO radical and implications for Antarctic ozone depletion. Nature 332(6167):796–800
4. Barrett JW, Solomon PM, de Zafra RL, Jaramillo M, Emmons L, Parrish A (1988) Formation of the Antarctic ozone hole by the CIO dimer mechanism. Nature 336(6198):455–458
5. Huder KJ, DeMore WB (1995) Absorption cross sections of the ClO dimer. J Phys Chem 99(12):3905–3908
Cited by 6 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. Ab initio molecular dynamics benchmarking study of machine-learned potential energy surfaces for the HBr+ + HCl reaction;Carbon Trends;2023-06
2. Neural Network Potential Energy Surfaces for Small Molecules and Reactions;Chemical Reviews;2020-10-06
3. An implementation of the Levenberg–Marquardt algorithm for simultaneous-energy-gradient fitting using two-layer feed-forward neural networks;Chemical Physics Letters;2015-06
4. Theoretical investigations of BBS (singlet)→BSB (triplet) transformation on a potential energy surface obtained from neural network fitting;Chemical Physics;2013-11
5. Successful combination of computationally inexpensive GIAO 13C NMR calculations and artificial neural network pattern recognition: a new strategy for simple and rapid detection of structural misassignments;Organic & Biomolecular Chemistry;2013
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