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在“
ACS电子期刊
”中,
命中:
58
条,耗时:0.0439801 秒
在所有数据库中总计命中:
332
条
1.
Theoretical
S
tudie
s
on Ethanol Di
ss
ociation on Iron Nanoparticle
s
in the Early Stage of SWCNT Growth
作者:
Ying WangMenggai Jiao
;
Zhijian Wu
;
S
tephan
Irle
刊名:Journal of Phy
s
ical Chemi
s
try C
出版年:2017
2.
Theoretical Inve
s
tigation of Molecular and Electronic Structure
s
of Buckmin
s
terfullerene-Silicon Quantum Dot Sy
s
tem
s
作者:
A.
S
. FedorovA. A. Kuzubov
;
A.
S
. Kholtobina
;
E. A. Kovaleva
;
J. Knaup
;
S
.
Irle
刊名:Journal of Phy
s
ical Chemi
s
try A
出版年:2016
3.
S
elf-Con
s
i
s
tent Optimization of Excited State
s
within Den
s
ity-Functional Tight-Binding
作者:
Tim Kowalczyk
;
Khoa Le
;
S
tephan
Irle
刊名:Journal of Chemical Theory and Computation
出版年:2016
4.
Quantum Chemical
S
imulation of Carbon Nanotube Nucleation on Al2O3 Cataly
s
t
s
via CH4 Chemical Vapor Depo
s
ition
作者:
Ali
s
ter J. Page
;
S
upriya Saha
;
Hai-Bei Li
;
S
tephan
Irle
;
Keiji Morokuma
刊名:Journal of the American Chemical
S
ociety
出版年:2015
5.
Creation of
S
uperheterojunction Polymer
s
via Direct Polyconden
s
ation: Segregated and Bicontinuou
s
Donor鈥揂cceptor 蟺-Columnar Array
s
in Covalent Organic Framework
s
for Long-Lived Charge Separation
作者:
S
hangbin Jin
;
Mu
s
tafa Supur
;
Matthew Addicoat
;
Ko Furukawa
;
Long Chen
;
To
s
hikazu Nakamura
;
S
hunichi Fukuzumi
;
S
tephan
Irle
;
Donglin Jiang
刊名:Journal of the American Chemical
S
ociety
出版年:2015
6.
Large-
S
cale Quantum-Mechanical Molecular Dynamic
s
Simulation
s
U
s
ing Den
s
ity-Functional Tight-Binding Combined with the Fragment Molecular Orbital Method
作者:
Yo
s
hio Ni
s
himoto
;
Hiroya Nakata
;
Dmitri G. Fedorov
;
S
tephan
Irle
刊名:The Journal of Phy
s
ical Chemi
s
try Letter
s
出版年:2015
7.
Graphene Nucleation from Amorphou
s
Nickel Carbide
s
: QM/MD Studie
s
on the Role of Sub
s
urface Carbon Den
s
ity
作者:
Menggai Jiao
;
Hujun Qian
;
Ali
s
ter Page
;
Kai Li
;
Ying Wang
;
Zhijian Wu
;
S
tephan
Irle
;
Keiji Morokuma
刊名:Journal of Phy
s
ical Chemi
s
try C
出版年:2014
8.
S
uper-Reduced Polyoxometalate
s
: Excellent Molecular Clu
s
ter Battery Component
s
and Semipermeable Molecular Capacitor
s
作者:
Yo
s
hio Ni
s
himoto
;
Dai
s
uke Yokogawa
;
Hirofumi Yo
s
hikawa
;
Kunio Awaga
;
S
tephan
Irle
刊名:Journal of the American Chemical
S
ociety
出版年:2014
9.
Quantum Dynamic
s
Simulation
s
Reveal Vibronic Effect
s
on the Optical Propertie
s
of [n]Cycloparaphenylene
s
作者:
V.
S
ivaranjana Reddy
;
Cri
s
topher Camacho
;
Jianlong Xia
;
Rame
s
h Ja
s
ti
;
S
tephan
Irle
刊名:Journal of Chemical Theory and Computation
出版年:2014
10.
Den
s
ity-Functional Tight-Binding Combined with the Fragment Molecular Orbital Method
作者:
Yo
s
hio Ni
s
himoto
;
Dmitri G. Fedorov
;
S
tephan
Irle
刊名:Journal of Chemical Theory and Computation
出版年:2014
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