发布求助
文献互助 智能选刊 最新文献

Molecular Engineering最新文献

筛选
英文 中文
Sampling the Initial Conditions for Quasiclassical Trajectory Studies of Vibrational Predissociation Dynamics 振动预解动力学准经典轨迹研究的初始条件采样
Molecular Engineering Pub Date : 1997-03-01 DOI: 10.1023/A:1008286515894
G. Delgado‐barrio, A. García-Vela, C. García-Rizo, M. I. Hernández, P. Villarreal
{"title":"Sampling the Initial Conditions for Quasiclassical Trajectory Studies of Vibrational Predissociation Dynamics","authors":"G. Delgado‐barrio, A. García-Vela, C. García-Rizo, M. I. Hernández, P. Villarreal","doi":"10.1023/A:1008286515894","DOIUrl":"https://doi.org/10.1023/A:1008286515894","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"25 1","pages":"219-230"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73197272","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 4
An Improved Method of Relaxation Rate Calculation in Double-Well Potential Systems 双阱电位系统弛豫速率计算的改进方法
Molecular Engineering Pub Date : 1997-03-01 DOI: 10.1007/978-94-011-4894-8_8
L. Mihailov, M. Kirtcheva, A. Manov
{"title":"An Improved Method of Relaxation Rate Calculation in Double-Well Potential Systems","authors":"L. Mihailov, M. Kirtcheva, A. Manov","doi":"10.1007/978-94-011-4894-8_8","DOIUrl":"https://doi.org/10.1007/978-94-011-4894-8_8","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"5 1","pages":"149-160"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73340678","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Characteristic (Crossover) Temperature in the Theory of Thermally Activated Tunneling Processes 热激活隧道过程理论中的特征(交叉)温度
Molecular Engineering Pub Date : 1997-03-01 DOI: 10.1007/978-94-011-4894-8_7
S. Christov
{"title":"The Characteristic (Crossover) Temperature in the Theory of Thermally Activated Tunneling Processes","authors":"S. Christov","doi":"10.1007/978-94-011-4894-8_7","DOIUrl":"https://doi.org/10.1007/978-94-011-4894-8_7","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"350 1","pages":"109-147"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77177880","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 10
Optimized Effective Potential for Atoms and Molecules 原子和分子的优化有效电位
Molecular Engineering Pub Date : 1997-03-01 DOI: 10.1023/A:1008218128189
T. Grabo, T. Kreibich, E. Gross
{"title":"Optimized Effective Potential for Atoms and Molecules","authors":"T. Grabo, T. Kreibich, E. Gross","doi":"10.1023/A:1008218128189","DOIUrl":"https://doi.org/10.1023/A:1008218128189","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"16 1","pages":"27-50"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82091555","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 51
Effect of the Vibrational/Rotational Energy Partitioning on the Energy Transfer in Atom–Triatomic Molecule Collisions 振动/旋转能量分配对原子-三原子分子碰撞中能量传递的影响
Molecular Engineering Pub Date : 1997-03-01 DOI: 10.1007/978-94-011-4894-8_10
I. Rosenblum, E. Dashevskaya, E. E. Nikitin, I. Oref
{"title":"Effect of the Vibrational/Rotational Energy Partitioning on the Energy Transfer in Atom–Triatomic Molecule Collisions","authors":"I. Rosenblum, E. Dashevskaya, E. E. Nikitin, I. Oref","doi":"10.1007/978-94-011-4894-8_10","DOIUrl":"https://doi.org/10.1007/978-94-011-4894-8_10","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"70 5 1","pages":"169-183"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87707704","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
A New Approach to Valence Bond Calculations: CASVB 一种新的价键计算方法:CASVB
Molecular Engineering Pub Date : 1997-03-01 DOI: 10.1007/978-94-011-4894-8_5
T. Thorsteinsson, D. L. Cooper, J. Gerratt, M. Raimondi
{"title":"A New Approach to Valence Bond Calculations: CASVB","authors":"T. Thorsteinsson, D. L. Cooper, J. Gerratt, M. Raimondi","doi":"10.1007/978-94-011-4894-8_5","DOIUrl":"https://doi.org/10.1007/978-94-011-4894-8_5","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"3 1","pages":"67-85"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73274192","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 6
Energy Estimates for Local Chemical Processes in Condensed Matter 凝聚态局部化学过程的能量估计
Molecular Engineering Pub Date : 1997-03-01 DOI: 10.1007/978-94-011-4894-8_13
C. Pisani, S. Casassa
{"title":"Energy Estimates for Local Chemical Processes in Condensed Matter","authors":"C. Pisani, S. Casassa","doi":"10.1007/978-94-011-4894-8_13","DOIUrl":"https://doi.org/10.1007/978-94-011-4894-8_13","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"186 1","pages":"231-244"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74513459","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Fragmentation of Ar3+: The Role of Rotational and Vibrational Predissociation Dynamics Ar3+的碎片化:旋转和振动预解动力学的作用
Molecular Engineering Pub Date : 1997-03-01 DOI: 10.1007/978-94-011-4894-8_11
E. Buonomo, F. Gianturco
{"title":"Fragmentation of Ar3+: The Role of Rotational and Vibrational Predissociation Dynamics","authors":"E. Buonomo, F. Gianturco","doi":"10.1007/978-94-011-4894-8_11","DOIUrl":"https://doi.org/10.1007/978-94-011-4894-8_11","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"4 1","pages":"185-217"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87066226","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Theoretical Study of the TiO2 and MgO Surface Acidity and the Adsorption of Acids and Bases TiO2和MgO表面酸性及酸碱吸附的理论研究
Molecular Engineering Pub Date : 1997-03-01 DOI: 10.1007/978-94-011-4894-8_14
A. Markovits, J. Ahdjoudj, C. Minot
{"title":"Theoretical Study of the TiO2 and MgO Surface Acidity and the Adsorption of Acids and Bases","authors":"A. Markovits, J. Ahdjoudj, C. Minot","doi":"10.1007/978-94-011-4894-8_14","DOIUrl":"https://doi.org/10.1007/978-94-011-4894-8_14","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"1 1","pages":"245-261"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88145291","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 19
The European Workshop 'Quantum Systems in Chemistry and Physics' 欧洲研讨会“化学和物理中的量子系统”
Molecular Engineering Pub Date : 1997-01-01 DOI: 10.1023/A:1008296027281
R. Mcweeny
{"title":"The European Workshop 'Quantum Systems in Chemistry and Physics'","authors":"R. Mcweeny","doi":"10.1023/A:1008296027281","DOIUrl":"https://doi.org/10.1023/A:1008296027281","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"53 1","pages":"1-6"},"PeriodicalIF":0.0,"publicationDate":"1997-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89560226","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
首页 上一页 下一页 尾页
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整，为了账户安全，请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们：info@booksci.cn Book学术提供免费学术资源搜索服务，方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号：604180095
Book学术官方微信
小红书