首页> 外文OA文献 >Microsolvation of Hydrogen Sulfide: Exploration of H2S(H2O)n and SH-H3O+(H2O)n-1 (n = 5-7) Cluster Structures on Ab Initio Potential Energy Surfaces by the Scaled Hypersphere Search Method

【2h】

Microsolvation of Hydrogen Sulfide: Exploration of H2S(H2O)n and SH-H3O+(H2O)n-1 (n = 5-7) Cluster Structures on Ab Initio Potential Energy Surfaces by the Scaled Hypersphere Search Method

机译：硫化氢的微透液：通过缩放的远光搜索方法对AB Initio潜在能量表面的H2S（H2O）N和SH-H3O +（H2O）N-1（n = 5-7）簇结构的探测

代理获取

本网站仅为用户提供外文OA文献查询和代理获取服务，本网站没有原文。下单后我们将采用程序或人工为您竭诚获取高质量的原文，但由于OA文献来源多样且变更频繁，仍可能出现获取不到、文献不完整或与标题不符等情况，如果获取不到我们将提供退款服务。请知悉。

页面导航

著录项
相似文献
相关主题

著录项

作者

展开▼
作者单位

展开▼
年度 -1
总页数
原文格式 PDF
正文语种
中图分类

相似文献

外文文献
中文文献

1. Microsolvation of hydrogen sulfide: Exploration of H2S center dot(H2O)(n) and SH-center dot H3O+(H2O)(n-1) (n=5-7) cluster structures on ab initio potential energy surfaces by the scaled hypersphere search method [J] . Maeda S, Ohno K The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2008,第13期

机译：硫化氢的微溶剂化：通过缩放超球搜索，探索从头算势能面上的H2S中心点（H2O）（n）和SH中心点H3O +（H2O）（n-1）（n = 5-7）簇结构方法
2. Structures of water octamers (H2O)(8): Exploration on ab initio potential energy surfaces by the scaled hypersphere search method [J] . Maeda S, Ohno K The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2007,第20期

机译：水八聚体（H2O）（8）的结构：从头算势能面的缩放超球搜索方法探索
3. Global mapping of equilibrium and transition structures on potential energy surfaces by the scaled hypersphere search method: Applications to ab initio surfaces of formaldehyde and propyne molecules [J] . Maeda S, Ohno K The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2005,第25期

机译：通过缩放的超球搜索方法对势能表面上的平衡和跃迁结构进行全局映射：在甲醛和丙炔分子从头开始的应用
4. Ab-initio calculations of low-lying excited states of water clusters (H2O)n n = 2-6 [C] . N.A. Zvereva, Tomsk State Univ./Siberian Branch, Tomsk, 12th Symposium and School on High-Resolution Molecular Spectroscopy . 1997

机译：水团簇（H2O）n = 2-6的低激发态的从头算计算
5. Development of new theoretical tools for navigating ab initio potential energy surfaces and applications of electronic structure methods to organometallic and inorganic chemistries. [D] . Hratchian, Hrant Patrick. 2005

机译：开发用于从头计算势能面的新理论工具，以及电子结构方法在有机金属和无机化学中的应用。
6. Exploration of the Potential Energy Surfaces Prediction of Atmospheric Concentrations and Prediction of Vibrational Spectra for the HO2···(H2O)n (n=1-2) Hydrogen Bonded Complexes [O] . Kristin S. Alongi, Theodore S. Dibble, George C. Shields, -1

机译：HO2···（H2O）n（n = 1-2）氢键配合物的势能面探索大气浓度预测和振动光谱预测
7. POTENTIAL ENERGY SURFACE OF Cu(H2O)62+AND Zn(H2O)62+DERIVED FROM AB INITIO MO CALCULATIONS [O] . Mitsuru Sano, Hideo Yamatera 1980

机译：Cu（H 2 O）6 2 +和Zn（H2O）6 2 +的潜在能量表面2 +来自AB Initio Mo计算
8. Ab initio Studies of the Structures and Energies of the H-(H2O) and H-(H2O)2 Complexes [R] . Chalasinski, G., Kendall, R. A., Simons, J. 1987

机译：从头算研究H-（H2O）和H-（H2O）2配合物的结构和能量

Microsolvation of Hydrogen Sulfide: Exploration of H2S(H2O)n and SH-H3O+(H2O)n-1 (n = 5-7) Cluster Structures on Ab Initio Potential Energy Surfaces by the Scaled Hypersphere Search Method

著录项

相似文献

相关主题

期刊订阅