Nakano H - Search Results

1

Uniform potential difference scheme to evaluate effective electronic couplings for superexchange electron transfer in donor-bridge-acceptor systems.

Nakano H, Higashi M, Sato H. Nakano H, et al. J Chem Phys. 2020 Jun 14;152(22):224103. doi: 10.1063/5.0010943. J Chem Phys. 2020. PMID: 32534534

2

A wave-function based approach for polarizable charge model: Systematic comparison of polarization effects on protic, aprotic, and ionic liquids.

Nakano H, Yamamoto T, Kato S. Nakano H, et al. J Chem Phys. 2010 Jan 28;132(4):044106. doi: 10.1063/1.3298873. J Chem Phys. 2010. PMID: 20113018

3

Variational calculation of quantum mechanical/molecular mechanical free energy with electronic polarization of solvent.

Nakano H, Yamamoto T. Nakano H, et al. J Chem Phys. 2012 Apr 7;136(13):134107. doi: 10.1063/1.3699234. J Chem Phys. 2012. PMID: 22482540 Free article.

4

Theoretical studies on the electronic states and liquid structures of ferrocenium-based ionic liquids.

Nakano H, Noguchi J, Mochida T, Sato H. Nakano H, et al. J Phys Chem A. 2015 May 28;119(21):5181-8. doi: 10.1021/jp509859f. Epub 2014 Dec 17. J Phys Chem A. 2015. PMID: 25517686

5

An Ab Initio QM/MM-Based Approach to Efficiently Evaluate Vertical Excitation Energies in Condensed Phases Including the Nonequilibrium Solvation Effect.

Nakano H, Sato H. Nakano H, et al. J Phys Chem B. 2016 Mar 3;120(8):1670-8. doi: 10.1021/acs.jpcb.5b08455. Epub 2015 Nov 10. J Phys Chem B. 2016. PMID: 26501431

6

Solvatochromic Shift of Brooker's Merocyanine: Hartree-Fock Exchange in Time Dependent Density Functional Calculation and Hydrogen Bonding Effect.

Wada T, Nakano H, Sato H. Wada T, et al. Among authors: nakano h. J Chem Theory Comput. 2014 Oct 14;10(10):4535-47. doi: 10.1021/ct5004884. J Chem Theory Comput. 2014. PMID: 26588147

7

Photo absorption of p-coumaric acid in aqueous solution: RISM-SCF-SEDD theory approach.

Hirano K, Nakano H, Nakao Y, Sato H, Sakaki S. Hirano K, et al. Among authors: nakano h. J Comput Chem. 2017 Jul 5;38(18):1567-1573. doi: 10.1002/jcc.24784. Epub 2017 Mar 27. J Comput Chem. 2017. PMID: 28349550

8

Introducing the mean field approximation to CDFT/MMpol method: Statistically converged equilibrium and nonequilibrium free energy calculation for electron transfer reactions in condensed phases.

Nakano H, Sato H. Nakano H, et al. J Chem Phys. 2017 Apr 21;146(15):154101. doi: 10.1063/1.4979895. J Chem Phys. 2017. PMID: 28433020

9

Theoretical Study of the Solvation Effect on the Reductive Reaction of Vinylene Carbonate in the Electrolyte Solution of Lithium Ion Batteries.

Kasahara K, Nakano H, Sato H. Kasahara K, et al. Among authors: nakano h. J Phys Chem B. 2017 May 25;121(20):5293-5299. doi: 10.1021/acs.jpcb.7b02864. Epub 2017 May 11. J Phys Chem B. 2017. PMID: 28492325

10

SCC-DFTB-PIMD Method To Evaluate a Multidimensional Quantum Free-Energy Surface for a Proton-Transfer Reaction.

Kosugi K, Nakano H, Sato H. Kosugi K, et al. Among authors: nakano h. J Chem Theory Comput. 2019 Sep 10;15(9):4965-4973. doi: 10.1021/acs.jctc.9b00355. Epub 2019 Aug 27. J Chem Theory Comput. 2019. PMID: 31419131

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