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SpringerLink电子期刊(30)
NATURE电子期刊(1)
Elsevier电子期刊(275)
ACS电子期刊(71)
在“
Elsevier电子期刊
”中,
命中:
275
条,耗时:0.048977 秒
在所有数据库中总计命中:
377
条
1.
Polymorphism and disorder in natural active ingredients. Low and high-temperature phases of anhydrous caffeine: Spectroscopic (
1
H-
14
N NMR-NQR/
14
N NQR) and solid-state computational modelling (DFT/QTAIM/RDS) study
作者:
Janez Seliger
a
;
b
;
Veselko Žagar
a
;
Tomaž Apih
a
;
Alan Gregorovič
a
;
Magdalena Latosińska
c
;
Grzegorz Andrzej Olejniczak
c
;
Jolanta Natalia Latosińska
c
;
Jolanta.Latosinska@amu.edu.pl" class="auth_mail" title="E-mail the corresponding author
关键词:
Natural active ingredient
;
Polymorphism
;
Structural and dynamical disorder
;
Composition of two phases
;
Magnetic resonances
;
Solid-state computational modelling
;
Biological activity of caffeine
刊名:European Journal of Pharmaceutical Sciences
出版年:2016
2.
N
quadrupole
coupling
in the microwave spectra of N-vinylformamide
作者:
Raphaela Kannengieß
;
er
a
;
raphaela.kannengiesser@rwth-aachen.de" class="auth_mail" title="E-mail the corresponding author
;
Wolfgang Stahl
a
;
Ha Vinh Lam Nguyen
b
;
William C. Bailey
c
关键词:
Microwave spectroscopy
;
N-vinylformamide
;
Nuclear
quadrupole
coupling
constants
;
Quantum chemical calculations
刊名:Journal of Molecular Spectroscopy
出版年:2015
3.
Substituent effects on geometry and bonding properties of asymmetric bifurcated pnicogen bonds: A theoretical study
作者:
Mehdi D. Esrafili
;
esrafili@maragheh.ac.ir" class="auth_mail" title="E-mail the corresponding author
;
Fariba Mohammadian-Sabet
刊名:Chemical Physics Letters
出版年:2016
4.
Uncertainty quantification for proton-proton fusion in chiral effective field theory
作者:
B. Acharya
a
;
B.D. Carlsson
b
;
A. Ekströ
;
m
a
;
c
;
b
;
C. Forssé
;
n
b
;
L. Platter
a
;
c
;
lplatter@utk.edu" class="auth_mail" title="E-mail the corresponding author
刊名:Physics Letters B
出版年:2016
5.
Fourier transform microwave spectroscopy of metal nitrides and imides:
Quadrupole
structure in ScN (X
1
危
+
), YN (X
1
危
+
), and BaNH
作者:
L.N. Zack
a
;
b
;
M.P. Bucchino
a
;
b
;
M.K.L. Binns
c
;
J.P. Young
c
;
P.M. Sheridan
c
;
sheridap@canisius.edu" class="auth_mail" title="E-mail the corresponding author
;
L.M. Ziurys
a
;
b
关键词:
Fourier transform microwave/mm-wave spectroscopy
;
Hyperfine structure
;
Quadrupole
coupling
constants
;
Laser ablation
刊名:Journal of Molecular Spectroscopy
出版年:2015
6.
33
S NMR spectroscopy. 4. Substituent effects on the
33
S
nuclear
quadrupole
coupling
constants
and electric field gradient in 3- and 4-substituted benzenesulphonates studied by DFT calculations in vacuo and in aqueous solution
作者:
Roberta Musio
;
Oronzo Sciacovelli
关键词:
33S NMR spectroscopy
;
33S
nuclear
quadrupole
coupling
constants
;
Substituent effect
;
Electric field gradient calculations
;
Substituted benzenesulfonates
;
Theoretical calculations in solution
刊名:Journal of Molecular Structure
出版年:2013
7.
On the theoretical description of
nuclear
quadrupole
coupling
in 螤 states of small molecules
作者:
J. Fi拧er
;
R. Pol谩k
关键词:
螤 States
;
Nuclear
quadrupole
coupling
constant
;
Electric dipole moment
;
Diatomic spectroscopic constant
刊名:Chemical Physics
出版年:8 November, 2013
8.
Theoretical studies of the dependence of
nuclear
quadrupole
coupling
constants
on intermolecular forces
作者:
Agnieszka Brzyska
a
;
Krzysztof Woli¨½ski
a
;
Micha? Jaszu¨½ski
b
;
michaljz@icho.edu.pl
关键词:
Nuclear
quadrupole
coupling
;
DFT
;
Intermolecular forces
刊名:Computational and Theoretical Chemistry
出版年:2012
9.
Hyperfine
constants
for aluminum hydride and aluminum deuteride
作者:
Alex Brown
;
Roderick E. Wasylishen
关键词:
Aluminum hydride
;
Aluminum deuteride
;
Nuclear
quadrupole
coupling
constants
;
Spin-rotation
constants
;
Magnetic shielding tensors
刊名:Journal of Molecular Spectroscopy
出版年:October, 2013
10.
Rotational spectra,
nuclear
quadrupole
coupling
tensors, and structures for CF
3
CF
2
X, X = Cl, Br
作者:
B.E. Long
;
G.S. Grubbs II
;
J.D. Langridge
;
S.A. Cooke
关键词:
Bromoperfluoroethane
;
Chloroperfluoroethane
;
Forbidden transitions
;
Nuclear
electric
quadrupole
coupling
;
Microwave spectroscopy
刊名:Journal of Molecular Structure
出版年:2012
1
2
3
4
5
6
7
8
9
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