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在“
Elsevier电子期刊
”中,
命中:
15,582
条,耗时:0.0819614 秒
在所有数据库中总计命中:
56,428
条
1.
Synthesis, DFT calculations,
electronic
structure,
electronic
absorption
spectra
, natural bond orbital (NBO) and nonlinear optical (NLO) analysis of the novel 5-methyl-8H-benzo[h]chromeno[2,3-b][1,6] naphthyridine-6(5H),8-dione (MBCND)
作者:
Shimaa Abdel Halim
;
shimaaquantum@ymail.com
;
Magdy A. Ibrahim
关键词:
TD-DFT
;
Theoretical investigation
;
2-Aminochromone-3-carboxaldehyde
;
Chromeno[2
;
3-b]pyridine
;
Cyclocondensation
;
UV-
spectra
;
MO-calculation
;
NBO and NLO analysis
刊名:Journal of Molecular Structure
出版年:2017
2.
Theoretical study of geometric structures and
electronic
absorption
spectra
of Iridium(III) complexes based on 2-phenyl-5-nitropyridyl with different ancillary ligands
作者:
Houari Brahim
a
;
brahim.h@outlook.com
;
Boumediene Haddad
a
;
Mohamed Boukabene
a
;
Safia Brahim
a
;
b
;
Berkane Ariche
a
关键词:
Iridium complex
;
Absorption
spectra
;
Excited state
;
Ancillary ligands
;
TD-DFT
刊名:Computational and Theoretical Chemistry
出版年:2017
3.
Electronic
absorption
spectra
of -L (L = He, Ne, Ar, Kr, H
2
, D
2
, N
2
) complexes
作者:
Mathias Holz
mathias.holz@unibas.ch
;
Ewen Kyle Campbell
ewen.campbell@unibas.ch
;
Corey Allen Rice
corey.rice@unibas.ch
;
John Paul Maier
;
j.p.maier@unibas.ch
关键词:
Electronic
spectroscopy
;
Fullerene
;
Complexes
刊名:Journal of Molecular Spectroscopy
出版年:2017
4.
Electronic
structure and
spectra
l properties of terbium(III) nitrate complex with hexamethylphosphoramide
作者:
Valerii I. Kharchenko
a
;
b
;
kharchenko.vi@mail.ru
;
Ilya A. Kurbatov
a
;
Alexander I. Cherednichenko
a
;
b
;
Anatoly G. Mirochnik
c
;
Polina A. Zhikhareva
c
关键词:
Terbium(III) complex
;
Hexamethylphosphoramide
;
DFT
;
Electronic
structure
;
XPS
;
Luminescence
刊名:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
出版年:2017
5.
Structural,
spectra
l, electrochemical and DFT studies of two mononuclear manganese(II) and zinc(II) complexes
作者:
Lan-Qin Chai
a
;
chailanqin@163.com
;
Li-Jian Tang
a
;
Li-Chuan Chen
b
;
Jiao-Jiao Huang
a
关键词:
Metal complexes
;
Crystal structures
;
DFT calculations
;
Spectra
l study
;
Cyclic voltammetry
刊名:Polyhedron
出版年:2017
6.
Effects of finite laser pulse width on two-dimensional
electronic
spectroscopy
作者:
Xuan Leng
a
;
b
;
c
;
Shuai Yue
a
;
c
;
Yu-Xiang Weng
a
;
c
;
yxweng@aphy.iphy.ac.cn
;
Kai Song
b
;
c
;
Qiang Shi
b
;
c
;
1
;
qshi@iccas.ac.cn
关键词:
Two-dimensional
electronic
spectroscopy
;
Hierarchical equations of motion
;
Optical response functions
;
Finite laser pulse width
刊名:Chemical Physics Letters
出版年:2017
7.
Influence of structural and solvation factors on the
spectra
l-fluorescent properties of alkyl-substituted BODIPYs in solutions
作者:
Natalia A. Bumagina
a
;
nad@isc-ras.ru
;
Elena V. Antina
a
;
eva@isc-ras.ru
;
Mikhail B. Berezin
a
;
mbb@isc-ras.ru
;
Alexander A. Kalyagin
b
;
gasel.93@mail.ru
关键词:
Dipyrromethene
;
BODIPY
;
Electronic
absorption
spectra
;
Fluorescence quantum yield
;
Solvatofluorochromic parameters
刊名:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
出版年:2017
8.
The
electronic
structure of alloxan monohydrate. Spectroscopic and density functional synergic approach
作者:
Shaaban A. Elroby
a
;
b
;
Saadullah G. Aziz
a
;
Rifaat H. Hilal
a
;
c
;
rhilal@kau.edu.sa
关键词:
Alloxan monohydrate
;
TD-DFT
;
One- and two-dimensional 1H NMR
;
Electronic
absorption
spectra
;
UV-photoabsorption cross-section
;
Vibration spectrum
刊名:Journal of Molecular Structure
出版年:2017
9.
Vibronics in optical
spectra
of Yb
3+
and Ce
3+
in YAG and Y
2
O
3
ceramics
作者:
A. Lupei
;
aurelia.lupei@inflpr.ro
;
V. Lupei
;
S. Hau
关键词:
Yb3+ and Ce3+
;
Optical
spectra
;
YAG and Y2O3 transparent ceramics
;
Electron-phonon interaction
;
Vibronic lines
刊名:Optical Materials
出版年:2017
10.
Electronic
structure of tin monosulfide
作者:
D.I. Bletskan
;
crystal_lab457@yahoo.com
;
M.M. Bletskan
;
K.E. Glukhov
关键词:
Tin monosulfide
;
Density functional theory
;
Electronic
structure
;
Density of states
刊名:Journal of Solid State Chemistry
出版年:2017
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