设为首页
收藏本站
网站地图
|
English
|
公务邮箱
About the library
Background
History
Leadership
Organization
Readers' Guide
Opening Hours
Collections
Help Via Email
Publications
Electronic Information Resources
常用资源
电子图书
期刊论文
学位会议
外文资源
特色专题
内部出版物
万方学术会议(1)
CNKI学位论文(50)
知网期刊论文(54)
在“
Elsevier电子期刊
”中,
命中:
4
条,耗时:小于0.01 秒
在所有数据库中总计命中:
105
条
1.
Structural and energetics aspects of a proposed mechanism for the phosphate-mediated Pictet-Spengler cyclization reaction: A computational study
作者:
Ruben D.
Parra
;
r
parra1
@depaul.edu" class="auth_mail" title="E-mail the corresponding author
;
Justin Maresh
关键词:
Pictet&ndash
;
Spengler
;
Reaction mechanism
;
DFT and ab initio
刊名:Computational and Theoretical Chemistry
出版年:2016
2.
Metal-ion binding by cyclic halogen-bonded structures: A theoretical study using M-(BrZ)
4
clusters (Z = F or NH
2
; M = Li
+
, Na
+
, or Mg
2+
)
作者:
Ruben D.
Parra
r
parra1
@depaul.edu" class="auth_mail" title="E-mail the corresponding author
刊名:Chemical Physics Letters
出版年:2015
3.
Cooperative effects in regular and bifurcated intramolecular OH?OC interactions: A computational study
作者:
Ruben D.
;
Parra
;
;
;
r
parra1
@depaul.edu
;
Kristina
;
Streu
关键词:
O-H...O
;
length as m-dash"" alt=""double bond
;
length as m-dash"" src=""http
;
//www.sciencedirect.com/scidirimg/entities/dbnd"" style=""vertical-align
;
middle
;
"">C H bonding
;
Cooperativity
;
DFT
;
LS-HB Model
刊名:Computational and Theoretical Chemistry
出版年:2011
4.
Hydrogen bond cooperativity in polyols: A DFT and AIM study
作者:
Ruben D.
;
Parra
;
;
;
r
parra1
@depaul.edu
;
Kristina
;
Streu
关键词:
Intramolecular H bonding
;
Cooperativity
;
AIM
;
Polyol
;
DFT
;
LS-HB Model
刊名:Computational and Theoretical Chemistry
出版年:2011
1
按检索点细分(4)
作者(4)
按出版年细分(4)
2016年(1)
2015年(1)
2011年(2)
NGLC 2004-2010.National Geological Library of China All Rights Reserved.
Add:29 Xueyuan Rd,Haidian District,Beijing,PRC. Mail Add: 8324 mailbox 100083
For exchange or info please contact us via
email
.