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
Wiley电子期刊(1)
NATURE电子期刊(2)
ACS电子期刊(114)
SpringerLink电子期刊(53)
Elsevier电子期刊(160)
在“
Elsevier电子期刊
”中,
命中:
160
条,耗时:小于0.01 秒
在所有数据库中总计命中:
330
条
1.
Deciphering the
perturbation
effect of urea on the supramolecular host-guest interaction of biologically active hydrophobic molecule inside the nanocavity of cyclodextrins
作者:
Banibrata Maity
;
Aninda Chatterjee
;
Sayeed Ashique Ahmed
;
Debabrata Seth
;
debabrata@iitp.ac.in
关键词:
Host-guest complex
;
Isothermal titration calorimetry
;
Fluorescence spectroscopy
;
Twisted
intramolecular
charge transfer
刊名:Journal of Luminescence
出版年:2017
2.
Linear, cyclic and branched Lennard-Jones chain quartic equation of state templates for associating fluid model development
作者:
Jonathan D. Smolen
;
Arthur S. Gow
;
agow@newhaven.edu" class="auth_mail" title="E-mail the corresponding author
关键词:
Equations of state
;
Lennard-Jones linear
;
Cyclic and branched chains
;
Wertheim's first-order thermodynamic
perturbation
theory
刊名:Fluid Phase Equilibria
出版年:2016
3.
Duo: A general program for calculating spectra of diatomic molecules
作者:
Sergei N. Yurchenko
a
;
s.yurchenko@ucl.ac.uk" class="auth_mail" title="E-mail the corresponding author
;
Lorenzo Lodi
a
;
l.lodi@ucl.ac.uk" class="auth_mail" title="E-mail the corresponding author
;
Jonathan Tennyson
a
;
j.tennyson@ucl.ac.uk" class="auth_mail" title="E-mail the corresponding author
;
Andrey V. Stolyarov
b
;
avstol@phys.chem.msu.ru" class="auth_mail" title="E-mail the corresponding author
关键词:
Diatomics
;
Spectroscopy
;
One-dimensional Schrö
;
dinger equation
;
Excited electronic states
;
Intramolecular
perturbation
;
Coupled-channel radial equations
;
Transition probabilities
;
Intensities
刊名:Computer Physics Communications
出版年:2016
4.
Conformational and electrostatic analysis of S
N
1 donor analogue glycomimetic inhibitors of ST3Gal-I mammalian sialyltransferase
作者:
Werner Crous
;
Kevin J. Naidoo
;
kevin.naidoo@uct.ac.za" class="auth_mail" title="E-mail the corresponding author
关键词:
Sialyltransferase
;
Transition State Analogues
;
Cancer inhibitors
;
ST3Gal-I
;
Free Energy Modeling
刊名:Bioorganic & Medicinal Chemistry
出版年:2016
5.
Photoinduced tautomerism of 2,6-dicarbomethoxyphenol in DMF-water mixtures:
Perturbation
from intermolecular processes
作者:
Abhijit Mandal
a
;
pcam2008@gmail.com" class="auth_mail
;
Ramprasad Misra
b
关键词:
Excited state
;
Proton transfer
;
Molecular cluster
;
Binary mixture
刊名:Journal of Luminescence
出版年:June, 2014
6.
A computational acumen into the relative applicability of geometrical and quantum chemical criteria in assessing
intramolecular
hydrogen bonding (IMHB) interaction: 5-Halosalicylic acids as representative examples
作者:
Aniruddha Ganguly
;
Bijan Kumar Paul
;
Soumen Ghosh
;
Nikhil Guchhait
关键词:
Density functional theory
;
Intramolecular
hydrogen bonding
;
Atoms-In-Molecule
;
Natural Bond Orbital
;
Molecular electrostatic potential
;
Resonance assisted hydrogen bond
刊名:Computational and Theoretical Chemistry
出版年:2013
7.
Spectroscopic investigation of 4-nitro-3-(trifluoromethyl)aniline, NBO analysis with 4-nitro-3-(trichloromethyl)aniline and 4-nitro-3-(tribromomethyl)aniline
作者:
S. Saravanan
;
V. Balach
;
ran
;
K. Viswanathan
关键词:
Vibrational spectra
;
HOMO&ndash
;
LUMO
;
NBO analysis and
perturbation
theory
;
Thermodynamic properties
;
MEP surface
刊名:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
出版年:5 March, 2014
8.
Modulation of the fluorescence properties of 5-amino salicylic acid by triethylamine
作者:
Priyanka Arora
;
Hem C. Joshi
;
Neeraj K. Joshi
;
Neetu P
;
ey
;
Pramod P
;
ey
;
Sanjay Pant
关键词:
5-Aminosalicylic acid
;
Excited state
intramolecular
proton transfer
;
Triethylamine
;
Enhancement
;
Hydrogen bonding
刊名:Journal of Molecular Liquids
出版年:March, 2014
9.
Conformational studies of gas-phase ribose and 2-deoxyribose by density functional, second order PT and multi-level method calculations: the pyranoses, furanoses, and open-chain structures
作者:
Marek Szczepaniak
;
Jerzy Moc
关键词:
d-Ribose
;
2-Deoxy-d-ribose
;
MP2
;
G4
;
NBO
刊名:Carbohydrate Research
出版年:30 January, 2014
10.
NMR structural studies of the first catalytic half-domain of ubiquitin activating enzyme
作者:
Mariusz Jaremko
;
艁ukasz Jaremko
;
Micha艂 Nowakowski
;
Marek Wojciechowski
;
Roman H. Szczepanowski
;
Renata Panecka
;
Igor Zhukov
;
Matthias Bochtler
;
Andrzej Ejchart
关键词:
AMP
;
adenosine-5&prime
;
-monophosphate
;
ATP
;
adenosine-5&prime
;
-triphosphate
;
CPMG
;
Carr&ndash
;
Purcell&ndash
;
Meiboom&ndash
;
Gill pulse train
;
E1
;
ubiquitin activating enzyme
;
E2
;
ubiquitin conjugating enzyme
;
E3
;
ubiquitin ligase
;
FCCH
;
first cysteine catalytic half-domain
;
HSQC
;
heteronuclear single quantum correlation
;
NOESY
;
nuclear Overhauser effect spectroscopy
;
RMSD
;
root mean square deviation
;
SCCH
;
second cysteine catalytic half-domain
;
TRIS-d11
;
perdeuterated 2-amino-2(hydroxymethyl)1
;
3-p
刊名:Journal of Structural Biology
出版年:January, 2014
1
2
3
4
5
6
7
8
9
按检索点细分(160)
关键词(5)
文摘(133)
按出版年细分(160)
2027年及以后(7)
2017年(1)
2016年(3)
2013年(8)
2012年(5)
2011年(15)
2010年(2)
2009年(3)
2008年(2)
2007年(5)
2006年(9)
2005年(10)
2004年(8)
2003年(8)
2002年(8)
2001年(11)
2000年(4)
2000年及以前(51)
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
.