| 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 | 2095 | 2004 |
| 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 | 255 | 2000 |
| 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 | 199 | 2010 |
| 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), 2010 | 142 | 2010 |
| 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), 11156, 2016 | 126 | 2016 |
| 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 | 98 | 2009 |
| Role of Molecular Orbitals Near the Fermi Level in the Excitation of Vibrational Modes<? format?> 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 | 96 | 2008 |
| 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 | 63 | 2008 |
| 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 | 61 | 2009 |
| 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 | 60 | 2018 |
| 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 | 46 | 2006 |
| 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 | 45 | 2013 |
| Investigation of the use of density functionals in second‐and third‐row transition metal dimer calculations S Yanagisawa, T Tsuneda, K Hirao Journal of Computational Chemistry 22 (16), 1995-2009, 2001 | 45 | 2001 |
| 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 | 44 | 2013 |
| 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 | 40 | 2013 |
| First-principles investigation on the segregation of Pd at LaFe1-xPd x O3-y surfaces Z Tian, A Uozumi, I Hamada, S Yanagisawa, H Kizaki, K Inagaki, ... Nanoscale Research Letters 8, 1-7, 2013 | 39 | 2013 |
| 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 | 29 | 2011 |
| 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 | 29 | 2005 |
| Pseudopotential approximation in van der Waals density functional calculations I Hamada, S Yanagisawa Physical Review B—Condensed Matter and Materials Physics 84 (15), 153104, 2011 | 26 | 2011 |
| Scanning tunneling microscopy/spectroscopy of picene thin films formed on Ag (111) Y Yoshida, HH Yang, HS Huang, SY Guan, S Yanagisawa, T Yokosuka, ... The Journal of Chemical Physics 141 (11), 2014 | 25 | 2014 |
Yoshitada MorikawaProfessor of Osaka UniversityVerified email at prec.eng.osaka-u.ac.jp
