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在“
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”中,
命中:
3,927
条,耗时:0.0859599 秒
在所有数据库中总计命中:
7,073
条
1.
Molecular
orbital
imaging for partially aligned molecules
作者:
Meiyan Qin
a
;
Xiaosong Zhu
b
;
zhuxiaosong@hust.edu.cn" class="auth_mail" title="E-mail the corresponding author
关键词:
High-
order
harmonic generation
;
Molecular
orbital
imaging
;
Molecular alignment
刊名:Optics & Laser Technology
出版年:2017
2.
Fragment molecular
orbital
(FMO) calculations on DNA by a scaled third-
order
Møller-Plesset perturbation (MP2.5) scheme
作者:
Haruka Yamada
a
;
Yuji Mochizuki
a
;
b
;
fullmoon@rikkyo.ac.jp
;
Kaori Fukuzawa
b
;
c
;
Yoshio Okiyama
b
;
Yuto Komeiji
d
关键词:
Fragment molecular
orbital
;
FMO
;
Interaction energy
;
Perturbation calculation
;
DNA
;
Base pair
刊名:Computational and Theoretical Chemistry
出版年:2017
3.
Capacity of arbitrary-
order
orbital
angular momentum multiplexing system
作者:
Yaqin Zhao
;
yaqinzhao@hit.edu.cn
;
Xin Zhong
;
Guanghui Ren
;
Shengyang He
;
Zhilu Wu
关键词:
94A14
;
94A15
;
94A40
刊名:Optics Communications
出版年:2017
4.
Structural transitions and multiferrocity in Ba and Co substituted nanosized bismuth ferrite
作者:
Anju
a
;
Ashish Agarwal
b
;
Praveen Aghamkar
a
;
praveenaghamkar@gmail.com
;
p_aghamkar@yahoo.in
;
Vijender Singh
c
;
Ompal Singh
b
;
Ajay Kumar
d
关键词:
BiFeO3
;
Cation substitution
;
Multiferroic
;
Orbital
order
ing
;
Rietveld refinement
刊名:Journal of Alloys and Compounds
出版年:2017
5.
Role of
orbital
degrees of freedom in investigating the magnetic properties of geometrically frustrated vanadium spinels
作者:
Sohan Lal
;
goluthakur2007@gmail.com" class="auth_mail" title="E-mail the corresponding author
;
Sudhir K. Pandey
sudhir@iitmandi.ac.in" class="auth_mail" title="E-mail the corresponding author
关键词:
Frustration indices
;
Magnetic moments
;
Band gap
;
Exchange coupling constant
;
Curie-Weiss temperature
;
Magnetic transition temperature
刊名:Computational Materials Science
出版年:2017
6.
Orbital
ly-driven evolution of Lake Turkana (Turkana Depression, Kenya, EARS) between 1.95 and 1.72 Ma: A sequence stratigraphy perspective
作者:
Alexis Nutz
a
;
nutz@geo.au.dk
;
Mathieu Schuster
a
;
Xavier Boë
;
s
b
;
Jean-Loup Rubino
c
关键词:
Coastal deposits
;
Transgressive-regressive cycle
;
Precession
;
Lake Lorenyang
;
Pleistocene
刊名:Journal of African Earth Sciences
出版年:2017
7.
Applications of computational chemistry to the study of the antiradical activity of carotenoids: A review
作者:
Debora Luana Monego
;
debora.monego@gmail.com" class="auth_mail" title="E-mail the corresponding author
;
Marcelo Barcellos da Rosa
;
Paulo Cí
;
cero do Nascimento
关键词:
B3LYP
;
Becke
;
three-parameter
;
Lee-Yang-Parr exchange-correlation functional
;
BPW91
;
combination of GGA exchange functional of Becke and GGA correlation functional of Perdew and Wang
;
CAR
;
carotenoid
;
CASMP2
;
complete active space Mø
;
ller-Plesset 2nd
order
perturbation theory
;
DFT
;
density functional theory
;
EA
;
electron affinity
;
FEDAM
;
full-electron donor-acceptor map
;
GGA
;
generalized gradient approximation
;
HOMO
;
highest occupied molecular
orbital
;
IE
;
ionization energy
;
LUMO
;
lowest u
刊名:Food Chemistry
出版年:2017
8.
Gravitational orbit-attitude coupling dynamics of a large solar power satellite
作者:
Yuliang Liu
a
;
b
;
Shunan Wu
a
;
b
;
wushunan@dlut.edu.cn
;
Kaiming Zhang
a
;
b
;
Zhigang Wu
a
;
b
关键词:
Orbit&ndash
;
attitude coupling
;
Solar power satellite
;
Flexible vibration
;
Taylor expansion
刊名:Aerospace Science and Technology
出版年:2017
9.
Geometries, stabilities and electronic properties of copper and selenium doped copper clusters: Density functional theory study
作者:
Cheng-Gang Li
a
;
b
;
Jie Zhang
a
;
Yu-Quan Yuan
c
;
yuquan_yuan1975@suse.edu.cn
;
Ya-Nan Tang
a
;
Bao-Zeng Ren
b
;
Wei-Guang Chen
a
关键词:
GAUSSIAN09
;
CALYPSO
;
Multiwfn
刊名:Physica E: Low-dimensional Systems and Nanostructures
出版年:2017
10.
Stochastic modeling of hypervelocity impacts in attitude propagation of space debris
作者:
Luc B.M. Sagniè
;
res
;
luc.sagnieres@mail.mcgill.ca
;
Inna Sharf
inna.sharf@mcgill.ca
关键词:
Hypervelocity impacts
;
Space debris
;
Spacecraft attitude dynamics
刊名:Advances in Space Research
出版年:2017
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