Haruyuki Nakano

发表

Three‐dimensional reference interaction site model self‐consistent field analysis of solvent and substituent effects on the absorption spectra of Brooker's merocyanine

Yuichi Tanaka, Norio Yoshida, Haruyuki Nakano, 2015, J. Comput. Chem..

Effect of Molecular Orientational Correlations on Solvation Free Energy Computed by Reference Interaction Site Model Theory

Norio Yoshida, Haruyuki Nakano, Shoichi Tanimoto, 2019, J. Chem. Inf. Model..

Network structure robots driven by SIDM micro linear actuators

Tomokatsu Kitamura, Kouichi Morikawa, Iwao Hayashi, 2001 .

Multireference perturbation theory with optimized partitioning. II. Applications to molecular systems

Kimihiko Hirao, Haruyuki Nakano, Henryk A. Witek, 2003, J. Comput. Chem..

UTChem - A Program for ab initio Quantum Chemistry

So Hirata, Yukio Kawashima, Kimihiko Hirao, 2003, International Conference on Computational Science.

Solvatochromism and preferential solvation of Brooker's merocyanine in water–methanol mixtures

Yuichi Tanaka, Yukio Kawashima, Norio Yoshida, 2017, J. Comput. Chem..

Development of an internet-based measurement apparatus database system for bridge inspection

Keiichi Yasuda, Haruyuki Nakano, Noriyo Horikawa, 2004 .

Quasi‐degenerate perturbation theory with general multiconfiguration self‐consistent field reference functions

Kimihiko Hirao, Haruyuki Nakano, Ryuma Uchiyama, 2002, J. Comput. Chem..

A complete active space valence bond (CASVB) method

Michel Dupuis, Kimihiko Hirao, Haruyuki Nakano, 1996 .

Cover Image

Shigehiko Hayashi, Norio Yoshida, Haruyuki Nakano, 2021, J. Comput. Chem..

A computational method to simulate global conformational changes of proteins induced by cosolvent

Shigehiko Hayashi, Norio Yoshida, Haruyuki Nakano, 2021, J. Comput. Chem..

New algorithm for electron repulsion integrals oriented to the general contraction scheme

Kazuhiro Ishida, Kimihiko Hirao, Haruyuki Nakano, 2000 .

Theoretical study of the π→π* excited states of linear polyenes: The energy gap between 11Bu+ and 21Ag− states and their character

Kimihiko Hirao, Haruyuki Nakano, Kenichi Nakayama, 1998 .

THEORETICAL STUDY OF THE ELECTRONIC GROUND STATE OF IRON(II) PORPHINE

Kimihiko Hirao, Yoong-Kee Choe, Haruyuki Nakano, 1998 .

Quasidegenerate perturbation theory with multiconfigurational self‐consistent‐field reference functions

Haruyuki Nakano, H. Nakano, 1993 .

Theoretical study of the valence π→π* excited states of polyacenes: Benzene and naphthalene

Kimihiko Hirao, Haruyuki Nakano, Tomohiro Hashimoto, 1996 .

MCSCF reference quasidegenerate perturbation theory with Epstein—Nesbet partitioning

Haruyuki Nakano, H. Nakano, 1993 .

Theoretical analysis of salt effect on intramolecular proton transfer reaction of glycine in aqueous NaCl solution

Norio Yoshida, Haruyuki Nakano, Yukako Kasai, 2014 .

Relativistic quasidegenerate perturbation theory with four-component general multiconfiguration reference functions.

Haruyuki Nakano, H. Nakano, Makoto Miyajima, 2006, The Journal of chemical physics.

Analytic energy gradients for multiconfigurational self-consistent field second-order quasidegenerate perturbation theory (MC-QDPT)

Mark S. Gordon, Kimihiko Hirao, Haruyuki Nakano, 1998 .

THEORETICAL STUDY OF ELECTRONIC AND GEOMETRIC STRUCTURES OF A SERIES OF LANTHANIDE TRIHALIDES LNX3 (LN = LA-LU; X = CL, F)

Takashi Tsuchiya, Kimihiko Hirao, Tetsuya Taketsugu, 1999 .

ANALYTIC ENERGY GRADIENTS FOR SECOND-ORDER MULTIREFERENCE PERTURBATION THEORY

Kimihiko Hirao, Haruyuki Nakano, Norio Otsuka, 1999 .

Second-order quasi-degenerate perturbation theory with quasi-complete active space self-consistent field reference functions

Kimihiko Hirao, Haruyuki Nakano, K. Hirao, 2001 .

Three-dimensional reference interaction site model self-consistent field study of the electronic structure of [Cr(H2O)6]3+ in aqueous solution.

Yukio Kawashima, Norio Yoshida, Haruyuki Nakano, 2013, The journal of physical chemistry. A.

Theoretical study of the valence π → π* excited states of polyacenes: anthracene and naphthacene

Yukio Kawashima, Kimihiko Hirao, Haruyuki Nakano, 1999 .

Theoretical analysis of co-solvent effect on the proton transfer reaction of glycine in a water-acetonitrile mixture.

Norio Yoshida, Haruyuki Nakano, N. Yoshida, 2015, The Journal of chemical physics.

Solvent effect on excited states of merocyanines: A theoretical study using the RISM-SCF method

Norio Yoshida, Haruyuki Nakano, N. Yoshida, 2013 .