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在“
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命中:
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在所有数据库中总计命中:
8,534
条
1.
The molecular structure of tris(dipivaloylmethanato) thulium:
Gas
-phase
electron
diffraction
and quantum chemical calculations
作者:
Oleg A. Pimenov
;
oleg.pimenov1988@mail.ru
;
Natalya V. Belova
;
Valery V. Sliznev
关键词:
Lanthanide dipivaloylmethanato
;
Gas
-phase
electron
diffraction
;
Quantum chemical calculations
;
Molecular structure
;
Internal rotation
;
NBO analysis
;
QTAIM
刊名:Journal of Molecular Structure
出版年:2017
2.
Molecular structure of
gas
eous isatin as studied by
electron
diffraction
and quantum chemical calculations
作者:
Alexander V. Belyakov
a
;
belyakov@lti-gti.ru
;
Kirill O. Nikolaenko
a
;
Pavel B. Davidovich
a
;
Anatolii D. Ivanov
a
;
Alexander V. Garabadzhiu
a
;
Anatolii N. Rykov
b
;
Igor F. Shishkov
b
关键词:
Indole-2
;
3-dione
;
Isatin
;
Molecular structure
;
Gas
-phase
electron
diffraction
;
Aromaticity
;
Induced current density
;
NBO
;
NICS
;
HOMA
;
ACID
;
ICSS
刊名:Journal of Molecular Structure
出版年:2017
3.
Semi-experimental equilibrium structure of pyrazinamide from
gas
-phase
electron
diffraction
. How much experimental is it?
作者:
Denis S. Tikhonov
a
;
b
;
dentix@phys.chem.msu.ru
;
Yury V. Vishnevskiy
a
;
Anatolii N. Rykov
b
;
Olga E. Grikina
b
;
Leonid S. Khaikin
b
关键词:
Pyrazinamide
;
Gas
electron
diffraction
;
Regularization
;
Amount of information
;
Heuristic criterion
;
Quantum chemistry
刊名:Journal of Molecular Structure
出版年:2017
4.
Structure and conformational behavior of N-phenylpiperidine studied by
gas
-phase
electron
diffraction
and quantum chemical calculations
作者:
Sergey A. Shlykov
a
;
shlykov@isuct.ru
;
Tran D. Phien
a
;
Yan Gao
b
;
Peter M. Weber
b
;
peter_weber@brown.edu
关键词:
Phenylpiperidine
;
Gas
electron
diffraction
;
Quantum chemical calculations
;
Hyperconjugation
;
Conformational analysis
;
Phenylheterocyclohexanes
刊名:Journal of Molecular Structure
出版年:2017
5.
Conformational properties of 1-cyano-1-silacyclohexane, C
5
H
10
SiHCN:
Gas
electron
diffraction
, low-temperature NMR and quantum chemical calculations
作者:
Alexander V. Belyakov
a
;
Yrii F. Sigolaev
a
;
Sergey A. Shlykov
b
;
Sunna Ó
;
. Wallevik
c
;
1
;
Nanna R. Jonsdottir
c
;
Sigridur Jonsdottir
c
;
Á
;
gú
;
st Kvaran
c
;
Ragnar Bjornsson
c
;
Ingvar Arnason
c
;
ingvara@hi.is
关键词:
Silacyclohexane
;
Molecular structure
;
Gas
electron
diffraction
;
Dynamic NMR spectroscopy
;
Quantum chemical calculations
;
Conformational analysis
刊名:Journal of Molecular Structure
出版年:2017
6.
Molecular structure and conformational behavior of 1-methyl-1-phenylsilacyclohexane studied by
gas
electron
diffraction
, IR spectroscopy and quantum chemical calculations
作者:
Tran Dinh Phien
a
;
Sergey A. Shlykov
a
;
shlykov@isuct.ru
;
Bagrat A. Shainyan
b
;
bagrat@irioch.irk.ru
关键词:
1-Methyl-1-phenyl-silacyclohexane
;
Molecular structure
;
Conformational analysis
;
Gas
-phase
electron
diffraction
;
Quantum chemical calculations
;
IR spectroscopy
刊名:Tetrahedron
出版年:2017
7.
Solid- and
gas
-phase structures and spectroscopic and chemical properties of tris(pentafluorosulfanyl)amine, N(SF
5
)
3
, and bis(pentafluorosufanyl)aminyl radical, N(SF
5
)
2
作者:
Jon B. Nielsen
a
;
Petra Zylka
b
;
Marc Kronberg
c
;
Xiaoqing Zeng
d
;
xqzeng@suda.edu.cn
;
Kerry D. Robinson
a
;
Simon G. Bott
a
;
Hongming Zhang
a
;
Jerry L. Atwood
a
;
Heinz Oberhammer
b
;
heinz.oberhammer@uni-tuebingen.de
;
Helge Willner
e
;
willner@uni-wuppertal.de
;
Joseph S. Thrasher
a
;
f
;
thrash5@clemson.edu
;
fluorine@bama.ua.edu
关键词:
Gas
electron
diffraction
;
Single crystal X-ray
diffraction
;
Stability
;
Vibrational spectroscopy
;
Quantum chemical calculations
刊名:Journal of Molecular Structure
出版年:2017
8.
Molecular structures and intramolecular dynamics of pentahalides
作者:
A.A. Ischenko
aischenko@yasenevo.ru
关键词:
Pentahalides
;
Fluxional molecules
;
Jahn-Teller effect
;
Pseudo-Jahn-Teller effect
;
gas
electron
diffraction
;
Spectroscopy
;
Quantum chemistry
;
Intramolecular dynamics
;
Structural instability
刊名:Journal of Molecular Structure
出版年:2017
9.
Molecule 1,5-C
10
H
6
(SO
2
Cl)
2
as prototype of conformational properties of naphthalene sulfonyl derivatives
作者:
Vjacheslav M. Petrov
a
;
Nina I. Giricheva
a
;
n.i.giricheva@mail.ru
;
Sergey N. Ivanov
a
;
Valentina N. Petrova
b
;
Georgiy V. Girichev
b
;
girichev@isuct.ru
关键词:1 ;
5-Naphthalenedisulfonylchloride
;
Molecular structure
;
Gas
-phase
electron
diffraction
;
Mass spectrometry
;
Quantum chemical calculations
;
Conformational properties
;
Transition barriers
刊名:Journal of Molecular Structure
出版年:2017
10.
Gas
and crystal structures of CCl
2
FSCN
作者:
Yanina Berrueta Martí
;
nez
a
;
Lucas S. Rodrí
;
guez Pirani
a
;
Mauricio F. Erben
a
;
Roland Boese
c
;
Christian G. Reuter
b
;
Yury V. Vishnevskiy
b
;
Norbert W. Mitzel
b
;
;
Carlos O. Della Vé
;
dova
a
;
carlosdv@quimica.unlp.edu.ar
关键词:
Dichlorofluoromethyl thiocyanate
;
Gas
electron
diffraction
;
X-ray
diffraction
刊名:Journal of Molecular Structure
出版年:2017
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