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Elsevier电子期刊(15)
ACS电子期刊(14)
在“
Elsevier电子期刊
”中,
命中:
15
条,耗时:小于0.01 秒
在所有数据库中总计命中:
29
条
1.
Nonadiabatic ab initio molecular dynamics of photoisomerization reaction between 1,3-cyclohexadiene and 1,3,5-cis-hexatriene
作者:
Ayumi Ohta
;
Osamu Kobayashi
;
Sebastian O. Danielache
;
Shinkoh
Nanbu
;
shinkoh
.
nanbu
@sophia.ac.jp" class="auth_mail" title="E-mail the corresponding author
关键词:
Ab initio molecular dynamics
;
Nonadiabatic transition
;
Photochromic molecule
;
Excited states dynamics
;
Zhu&ndash
;
Nakamura version trajectory surface hopping
刊名:Chemical Physics
出版年:2015
2.
Application of particle-mesh Ewald summation to ONIOM theory
作者:
Osamu Kobayashi
;
Shinkoh
Nanbu
;
shinkoh
.
nanbu
@sophia.ac.jp" class="auth_mail" title="E-mail the corresponding author
关键词:
Protonated Schiff base
;
ONIOM
;
Periodic boundary condition
;
Nonadiabatic transition
刊名:Chemical Physics
出版年:2015
3.
Intramolecular energy transfer in 3-amino-N
作者:
Manabu Nakazono
;
Kenichiro Saita
;
Chika Kurihara
;
Shinkoh
Nanbu
;
Kiyoshi Zaitsu
关键词:
Fluorescence
;
Intramolecular energy transfer
;
Coumarin
;
Phthalimide
刊名:Journal of Photochemistry and Photobiology A: Chemistry
出版年:2009
4.
Raman spectroscopic study on isomers of photochromic 1,2-bis(2,5-dimethyl-3-thienyl)perfluorocyclopentene in crystal and stability of the closed-ring forms in the open-ring forms
作者:
Kenichiro Saita
;
Seiya Kobatake
;
Tuyoshi Fukaminato
;
Shinkoh
Nanbu
;
Masahiro Irie
;
Hiroshi Sekiya
关键词:
Genetic algorithm
;
Steepest descent method
;
Chaotic systems
;
Neural network
刊名:Chemical Physics Letters
出版年:2008
5.
Ab initio study of sulfur isotope fractionation in the reaction of OCS with OH
作者:
Sebastian O. Danielache
;
Matthew S. Johnson
;
Shinkoh
Nanbu
;
Mette M.-L. Grage
;
Chris McLinden
;
Naohiro Yoshida
关键词:
Genetic algorithm
;
Steepest descent method
;
Chaotic systems
;
Neural network
刊名:Chemical Physics Letters
出版年:2008
6.
Remarkable suppression of the excited-state double-proton transfer in the 7-azaindole dimer due to substitution of the dimethylamino group studied by electronic spectroscopy in the gas phase
作者:
Xuan Zhang
;
Yusuke Komoto
;
Kenji Sakota
;
Nakagaki Masayuki
;
Teruo Shinmyozu
;
Shinkoh
Nanbu
;
Haruyuki Nakano
;
Hiroshi Sekiya
关键词:
Cosmic-ray proton
;
Cosmic-ray helium
;
Atmospheric proton
;
Solar modulation
;
Superconducting spectrometer
刊名:Chemical Physics Letters
出版年:2007
7.
Atomic hydrogen transmission through five-membered carbon ring by the mechanism of non-adiabatic tunneling
作者:
Shinkoh
Nanbu
;
Toshimasa Ishida and Hiroki Nakamura
关键词:
Atomic hydrogen transmission
;
Non-adiabatic tunneling
;
Five-membered carbon ring
;
MRCI
;
Quantum wave packet dynamics
;
Zhu–
;
Nakamura semiclassical theory
;
Cyclopentadienyl radical
;
Corannulene
刊名:Chemical Physics
出版年:2006
8.
Theoretical study of water-induced oxidation reaction on a bare Si surface: H
2
O + Si(1 0 0)–(2 × 1)
作者:
Hidekazu Watanabe
;
Shinkoh
Nanbu
;
Zhi-Hong Wang and Mutsumi Aoyagi
刊名:Chemical Physics Letters
出版年:2006
9.
Assignment of surface IR absorption spectra observed in the oxidation reactions: 2H+H
2
O/Si(100) and H
2
O+H/Si(100)
作者:
Wang
;
Zhi-Hong
;
Urisu
;
Tsuneo
;
Watanabe
;
Hidekazu
;
Ooi
;
Kenta
;
Ranga Rao
;
G.
;
Nanbu
;
Shinkoh
;
et. al.
关键词:
Silicon
;
Infrared absorption
;
Surface chemical reaction
;
Density functional calculations
;
Silicon
;
Hydrogen atom
;
Water
刊名:Surface Science
出版年:2005
10.
Ab initio calculated structures of conformers for 1,3-dimethoxy-p-tert-butylcalix[4]crown-5-ether complexed with potassium cation
作者:
Choe
;
Jong-In
;
Chang
;
Suk-Kyu
;
Lee
;
Sik
;
Nanbu
;
Shinkoh
关键词:
Calix[
;
4]
;
crown-5-ether
;
Cone conformer
;
Complexation
;
Potassium cation
;
Ab initio calculation
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2005
1
2
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