Mapping out reaction paths for conformational changes in (M g O) n clusters: a study based on a stochastic procedure
Author:
Funder
Council of Scientific and Industrial Research
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics
Link
http://link.springer.com/article/10.1007/s11224-017-1049-1/fulltext.html
Reference69 articles.
1. Pathak AK, Mukherjee T, Maity DK (2007) Theoretical studies on photoelectron and IR spectral properties of B r 2 .−(H 2 O) n clusters. J Chem Phys 127:044304
2. Xantheas SS (1995) Theoretical study of hydroxide ion-water clusters. J Am Chem Soc 117:10373–10380
3. Pathak AK, Mukherjee T, Maity DK (2010) Global minimum-energy structure and spectroscopic properties of i 2 .− n H 2 O clusters: a Monte Carlo simulated annealing study. Chem Phys Chem 11:220–228
4. Neogi SG, Chaudhury P (2013) Structure and spectroscopic aspects of water-halide ion clusters: a study based on a conjunction of stochastic and quantum chemical methods. J Comp Chem 34:471–491
5. Weber JM, Kelley JA, Nielsen SB, Ayotte P, Johnson MA (2000) Isolating the spectroscopic signature of a hydration shell with the use of clusters: superoxide tetrahydrate. Science 287:2461–2463
Cited by 11 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. Energetics and spectroscopic studies of CNO(‐)(H2O)n$$ {\mathbf{CNO}}^{\left(\hbox{-} \right)}{\left({\mathbf{H}}_{\mathbf{2}}\mathbf{O}\right)}_{\mathbf{n}} $$ clusters and the temperature dependencies of the isomers: An approach based on a combined recipe of parallel tempering and quantum chemical methods;Journal of Computational Chemistry;2024-08-16
2. Enhanced ozonation of pollutants by MgO nanoclusters/sewage sludge-derived hierarchical porous carbon: experimental and theoretical study;Environmental Science: Nano;2021
3. Structural transformation in $$(\hbox {MgO})_{{{n}}}$$ clusters using a gradient-only strategy and its comparison with a full Hessian-based calculation;Indian Journal of Physics;2020-03-18
4. Construction of elementary reaction paths of pure and mixed Argon-Xenon clusters : a parallel tempering based study;Structural Chemistry;2020-02-19
5. Structure elucidation and construction of isomerisation pathways in small to moderate-sized (6–27) MgO nanoclusters: an adaptive mutation simulated annealing based analysis with quantum chemical calculations;Physical Chemistry Chemical Physics;2020
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