Yanagisawa, Susumu
Yanagisawa, Susumu
Department of Physics and Earth Sciences, Faculty of Science, University of the Ryukyus
sci.u-ryukyu.ac.jp의 이메일 확인됨
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A long-range-corrected time-dependent density functional theory
Y Tawada, T Tsuneda, S Yanagisawa, T Yanai, K Hirao
The Journal of chemical physics 120 (18), 8425-8433, 2004
17682004
An investigation of density functionals: The first-row transition metal dimer calculations
S Yanagisawa, T Tsuneda, K Hirao
The Journal of Chemical Physics 112 (2), 545-553, 2000
2392000
State-selective dissociation of a single water molecule on an ultrathin MgO film
HJ Shin, J Jung, K Motobayashi, S Yanagisawa, Y Morikawa, Y Kim, ...
Nature materials 9 (5), 442-447, 2010
1682010
Density functional theoretical study of pentacene/noble metal interfaces with van der Waals corrections: Vacuum level shifts and electronic structures
K Toyoda, I Hamada, K Lee, S Yanagisawa, Y Morikawa
The Journal of chemical physics 132 (13), 134703, 2010
1332010
Role of molecular orbitals near the Fermi level in the excitation of vibrational modes of a single molecule at a scanning tunneling microscope junction
M Ohara, Y Kim, S Yanagisawa, Y Morikawa, M Kawai
Physical review letters 100 (13), 136104, 2008
922008
First-principles study of benzene on noble metal surfaces: Adsorption states and vacuum level shifts
K Toyoda, Y Nakano, I Hamada, K Lee, S Yanagisawa, Y Morikawa
Surface science 603 (18), 2912-2922, 2009
912009
Suppressing molecular vibrations in organic semiconductors by inducing strain
T Kubo, R Häusermann, J Tsurumi, J Soeda, Y Okada, Y Yamashita, ...
Nature communications 7 (1), 1-7, 2016
832016
First-principles theoretical study of Alq3/Al interfaces: Origin of the interfacial dipole
S Yanagisawa, K Lee, Y Morikawa
The Journal of chemical physics 128, 244704, 2008
582008
First-principles study of the pentacene/Cu (1 1 1) interface: Adsorption states and vacuum level shifts
K Toyoda, Y Nakano, I Hamada, K Lee, S Yanagisawa, Y Morikawa
Journal of Electron Spectroscopy and Related Phenomena 174 (1-3), 78-84, 2009
522009
Important role of molecular permanent dipoles of the Alq3/Al interface studied from first-principles
S Yanagisawa, Y Morikawa
Chemical physics letters 420 (4), 523-528, 2006
442006
Impact of the molecular quadrupole moment on ionization energy and electron affinity of organic thin films: Experimental determination of electrostatic potential and electronic …
K Yamada, S Yanagisawa, T Koganezawa, K Mase, N Sato, H Yoshida
Physical Review B 97 (24), 245206, 2018
412018
HOMO band dispersion of crystalline rubrene: Effects of self-energy corrections within the GW approximation
S Yanagisawa, Y Morikawa, A Schindlmayr
Physical Review B 88 (11), 115438, 2013
392013
Intermolecular Interaction as Origin of Red Shifts in Absorption Spectra of Zinc-Phthalocyanine From First-Principles
S Yanagisawa, T Yasuda, K Inagaki, Y Morikawa, K Manseki, S Yanagida
The Journal of Physical Chemistry A 117 (44), 11246-11253, 2013
282013
Search for a self-regenerating perovskite catalyst using ab initio thermodynamics calculations
S Yanagisawa, A Uozumi, I Hamada, Y Morikawa
The Journal of Physical Chemistry C 117 (3), 1278-1286, 2013
272013
Density functional theoretical study of perfluoropentacene/noble metal interfaces with van der Waals corrections: adsorption states and vacuum level shifts
K Toyoda, I Hamada, K Lee, S Yanagisawa, Y Morikawa
The Journal of Physical Chemistry C 115 (13), 5767-5772, 2011
272011
Theoretical investigation of adsorption of organic molecules onto Fe (110) surface
S Yanagisawa, T Tsuneda, K Hirao, Y Matsuzaki
Journal of Molecular Structure: THEOCHEM 716 (1), 45-60, 2005
262005
Pseudopotential approximation in van der Waals density functional calculations
I Hamada, S Yanagisawa
Physical Review B 84 (15), 153104, 2011
242011
Theoretical investigation of the electronic structure of the Alq3/Mg interface
S Yanagisawa, Y Morikawa
Journal of Physics: Condensed Matter 21 (6), 064247, 2009
232009
Theoretical Investigation on the Electronic Structure of the Alq3/Al Interface
S Yanagisawa, Y Morikawa
Proc. Int. Symp. Super-Functionality Organic Devices, IPAP Conf. Series 6, 11-14, 2005
23*2005
Origin of the band dispersion in a metal phthalocyanine crystal
S Yanagisawa, K Yamauchi, T Inaoka, T Oguchi, I Hamada
Physical Review B 90 (24), 245141, 2014
202014
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