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Elsevier电子期刊(1687)
在“
Elsevier电子期刊
”中,
命中:
1,687
条,耗时:小于0.01 秒
在所有数据库中总计命中:
1,687
条
1.
Evaluation of density functionals for elementary steps of selective oxidation reactions
作者:
Shrabani Dinda
a
;
Cheng-chau Chiu
b
;
1
;
Alexander Genest
a
;
Notker Rö
;
sch
a
;
b
;
roesch@mytum.de
关键词:
Redox reaction
;
Metal oxo complex
;
Density functional
;
Benchmark
;
CCSD
(T) reference
刊名:Computational and Theoretical Chemistry
出版年:2017
2.
Electron diffraction analysis for the molecules with degenerate large amplitude motions: Intramolecular dynamics in arsenic pentafluoride
作者:
Igor V. Kochikov
a
;
Dmitry M. Kovtun
a
;
b
;
Yury I. Tarasov
b
;
tarasov@phys.chem.msu.ru
关键词:
Molecular structure and dynamics
;
Pseudorotation
;
Equilibrium molecular structure
;
LAM
;
Arsenic pentafluoride
;
Electron diffraction
;
Quantum chemistry
;
CCSD
(T)
刊名:Journal of Molecular Structure
出版年:2017
3.
Reaction of NO
3
radical with benzyl alcohol - A DFT study
作者:
Basheer Aazaad
;
Senthilkumar Lakshmipathi
;
lsenthilkumar@buc.edu.in
关键词:
Benzyl alcohol
;
NO3
;
DFT
;
CCSD
(T)
;
Reaction force analysis
;
Arrhenius parameter
刊名:Computational and Theoretical Chemistry
出版年:2017
4.
Use of non-warfarin oral anticoagulants instead of warfarin during left atrial appendage closure with the Watchman device
作者:
Yoshinari Enomoto
;
MD
*
;
Varuna K. Gadiyaram
;
MD
&dagger
;
;
Carola Gianni
;
MD
;
PhD
&Dagger
;
;
§
;
;
Rodney P. Horton
;
MD
;
FHRS
&Dagger
;
;
¶
;
;
Chintan Trivedi
;
MD
;
MPH
;
FHRS
&Dagger
;
;
Sanghamitra Mohanty
;
MD
;
MBBS
;
MS
;
FHRS
&Dagger
;
;
║
;
Luigi Di Biase
;
MD
;
PhD
;
FHRS
&Dagger
;
;
¶
;
;
**
;
&dagger
;
&dagger
;
;
Amin Al-Ahmad
;
MD
;
CCSD
;
FHRS
&Dagger
;
;
J. David Burkhardt
;
MD
;
FHRS
&Dagger
;
;
Arvin Narula
;
MD
&dagger
;
;
Gwen Janczyk
;
PAC
&dagger
;
;
Matthew J. Price
;
MD
&dagger
;
;
Muhammad R. Afzal
;
MD
&Dagger
;
&Dagger
;
;
Moustapha Atoui
;
MD
&Dagger
;
&Dagger
;
;
Matthew Earnest
;
MD
&Dagger
;
&Dagger
;
;
Vijay Swarup
;
MD
;
FHRS
§
;
§
;
;
Shephal K. Doshi
;
MD
¶
;
¶
;
;
Sarina van der Zee
;
MD
¶
;
¶
;
;
Rebecca Fisher
;
MD
*
;
Dhanunjaya R. Lakkireddy
;
MD
&Dagger
;
&Dagger
;
;
Douglas N. Gibson
;
MD
;
FHRS
&dagger
;
;
Andrea Natale
;
MD
;
FHRS
&dagger
;
;
&Dagger
;
;
¶
;
;
║
;
║║
;
***
;
&dagger
;
&dagger
;
&dagger
;
;
Vivek Y. Reddy
;
MD
*
;
vivek.reddy@mountsinai.org
关键词:
Left atrial appendage
;
Watchman
;
Non-warfarin oral anticoagulants
;
Device-related thrombosis
;
Thromboembolism
;
Stroke
刊名:Heart Rhythm
出版年:2017
5.
The weak fundamental NH-stretching transition in amines
作者:
Sidsel D. Schrø
;
der
a
;
Anne S. Hansen
a
;
Jens H. Wallberg
a
;
Anne R. Nielsen
a
;
Lin Du
b
;
Henrik G. Kjaergaard
a
;
hgk@chem.ku.dk
关键词:
Absolute intensity
;
Oscillator strength
;
Dipole moments
;
Overtones
刊名:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
出版年:2017
6.
Theoretical studies on dimerization vs. microhydration of carboxylic acids
作者:
Parvathi Krishnakumar
;
Dilip Kumar Maity
;
dkmaity@barc.gov.in
刊名:Computational and Theoretical Chemistry
出版年:2017
7.
The structure and aromaticity of 1,4 and 1,5 dihydro diazocine, dioxocine, hydro oxazocine: ab initio
CCSD
(T) singlet potential energy surface study
作者:
Ruslan Kevorkyants
;
ruslan.kevorkyants@gmail.com" class="auth_mail" title="E-mail the corresponding author
;
Yuri Vladimirovich Chizhov
关键词:
CCSD
(T)
;
Aromaticity
;
Diheterocines
;
Isomers
刊名:Tetrahedron Letters
出版年:2016
8.
Thermochemistry of 4-HOC
6
H
4
COR (R = H, CH
3
, C
2
H
5
, n-C
3
H
7
, n-C
4
H
9
, n-C
5
H
11
, and n-C
6
H
13
) compounds
作者:
Cá
;
tia S.D. Lopes
;
Filipe Agapito
;
Carlos E.S. Bernardes
;
Manuel E. Minas da Piedade
;
memp@fc.ul.pt" class="auth_mail" title="E-mail the corresponding author
刊名:Journal of Chemical Thermodynamics
出版年:2017
9.
Application of “Crust 1” 10k ultra-deep scientific drilling rig in Songliao Basin Drilling Project (
CCSD
-SKII)
作者:
Youhong Sun
a
;
b
;
Feiyu Zhang
a
;
b
;
Qingyan Wang
a
;
b
;
Ke Gao
a
;
b
;
47422953@qq.com" class="auth_mail" title="E-mail the corresponding author
关键词:
Ultra-deep drilling rig
;
Songliao Basin Drilling Project
;
Topdrive
;
Pipe handler
;
Catwalk
;
Iron roughneck
;
Crust 1
刊名:Journal of Petroleum Science and Engineering
出版年:2016
10.
How large are post-
CCSD
(T) contributions to the total atomization energies of medium-sized alkanes?
作者:
Amir Karton
amir.karton@uwa.edu.au" class="auth_mail" title="E-mail the corresponding author
刊名:Chemical Physics Letters
出版年:2016
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