搜索结果: 1-13 共查到“化学 Computational”相关记录13条 . 查询时间(0.062 秒)
上海硅酸盐所主办的学术期刊npj Computational Materials入选“中国最具国际影响力学术期刊” 《无机材料学报》入选“中国国际影响力优秀学术期刊”（图）
上海硅酸盐所 无机材料 自然科学
2022/12/28
2022年12月19日，中国知网和清华大学图书馆联合发布了《中国学术期刊国际引证年报（自然科学与工程技术）》（2022版），中国科学院上海硅酸盐研究所主办的npj Computational Materials和《无机材料学报》分别入选“中国最具国际影响力学术期刊”和“中国国际影响力优秀学术期刊”。
npj Computational Materials 2019年影响因子达到9.341（图）
npj Computational Materials 2019年 影响因子 9.341
2020/7/6
2020年6月29日，Web of Science公布了2019年《期刊引证报告》，npj Computational Materials的影响因子为9.341，在Materials science: multidisciplinary （材料科学-综合类）314种期刊中排名第30，在Chemistry-Physical（物质化学类）159种期刊中排名第24，均为Q1区期刊。另外，在SCI收录的1...
世界理论和计算化学家协会第十一届大会（11th Triennial Congress of the World Association of Theoretical and Computational Chemists）
世界理论和计算化学家协会 第十一届 大会
2017/1/20
This year we will host the 11th Triennial Congress of the World Association of Theoretical and Computational Chemists from August 27 to September 1, 2017 in Munich, Germany. WATOC is the largest theor...
第11届世界理论与计算化学家协会大会（11th Triennial Congress of the World Association of Theoretical and Computational Chemists）
第11届 世界理论与计算化学家协会 大会
2017/1/13
Next year we will host the 11th Triennial Congress of the World Association of Theoretical and Computational Chemists from August 27 to September 1, 2017 in Munich, Germany. WATOC is the largest theor...
International Conference on Theoretical and High Performance Computational Chemistry 2016
Computational Chemistry High Performance Computational Chemistry
2016/7/19
ICT-HPCC16 is supported by Virtual Laboratory for Computational Chemistry (VLCC), Center of Scientific Computing Applications & Research, Chinese Academy of Sciences. It is a international conference ...
Computational study on nitronium squarate - potential oxidizers for solid rocket propulsion?
Ammonium perchlorate combustion, nitronium squaric acid oxidizers
2010/12/29
The enthalpies of formation for solid ionic nitronium squarate, [NO2]2[C4O4], and covalent squaric acid dinitrate ester, O2N-C4O4-NO2, were calculated using the complete basis set (CBS-4M) method of P...
Computational study on nitronium squarate - potential oxidizers for solid rocket propulsion?
Ammonium perchlorate combustion nitronium squaric acid oxidizers specific impulse rocket propellants
2010/12/20
The enthalpies of formation for solid ionic nitronium squarate, [NO2]2[C4O4], and covalent squaric acid dinitrate ester, O2N-C4O4-NO2, were calculated using the complete basis set (CBS-4M) method of P...
A computational investigation of the Ni-doped Six (x=1-8) clusters by a density functional method
2007/7/28
期刊信息
篇名
A computational investigation of the Ni-doped Six (x=1-8) clusters by a density functional method
语种
英文
撰写或编译
作者
Z. Y. Ren,F. Li,P. Guo,J G Han
第一作者单位
刊物名称
J. Mol. Struct. (Theochem).
页面
(2005...
A computational investigation on GenCl and GenCl-(n=1-6) clusters by density functional method
2007/7/28
期刊信息
篇名
A computational investigation on GenCl and GenCl-(n=1-6) clusters by density functional method
语种
英文
撰写或编译
作者
J G Han,Z. Y. Ren,Y. W. Zhang
第一作者单位
刊物名称
Chem. Phys
页面
305(1-3):253-258(200
出版日期
...
期刊信息
篇名
A computational study on CunN0,? (n=1-4) clusters by density functional method
语种
英文
撰写或编译
作者
J. G. Han,LS Sheng,YW Zhang,JA Morales
第一作者单位
刊物名称
Chem. Phys
页面
294(2): 211-220(2003
出版日期
2003年
月...
The Center for Computational Chemistry at the University of Georgia
organic chemistry 有机化学
2007/12/19
The Center for Computational Chemistry at the University of Georgia seeks to develop theoretical and computational methods through mathematical models for describing and understanding the movement and...
Laboratory for Computational and Applied Chemistry (LCAC). The LCAC has been well established since 1985 by a group of faculty and researchers. The mission of LCAC is to improve international reputat...
A Computational Investigation for the Chiral Chromatographic Separation of Benzimidazole Type Sulphoxides
Molecular modelling sulphoxides molecular mechanics chiral separation chromatography
2010/4/21
The computational study of chromatographic separations has become increasingly important in recent years. It supplies useful information about the mechanism of chromatographic separations and the desi...