Higashi M - 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. Among authors: higashi m. J Chem Phys. 2020 Jun 14;152(22):224103. doi: 10.1063/5.0010943. J Chem Phys. 2020. PMID: 32534534

2

Geometry optimization based on linear response free energy with quantum mechanical/molecular mechanical method: applications to Menshutkin-type and Claisen rearrangement reactions in aqueous solution.

Higashi M, Hayashi S, Kato S. Higashi M, et al. J Chem Phys. 2007 Apr 14;126(14):144503. doi: 10.1063/1.2715941. J Chem Phys. 2007. PMID: 17444719

3

Theoretical approaches for dynamical ordering of biomolecular systems.

Okumura H, Higashi M, Yoshida Y, Sato H, Akiyama R. Okumura H, et al. Among authors: higashi m. Biochim Biophys Acta Gen Subj. 2018 Feb;1862(2):212-228. doi: 10.1016/j.bbagen.2017.10.001. Epub 2017 Oct 6. Biochim Biophys Acta Gen Subj. 2018. PMID: 28988931 Review.

4

Nuclear magnetic shielding of molecule in solution based on reference interaction site model self-consistent field with spatial electron density distribution.

Imamura K, Yamazaki T, Yokogawa D, Higashi M, Sato H. Imamura K, et al. Among authors: higashi m. J Chem Phys. 2020 May 21;152(19):194102. doi: 10.1063/5.0008903. J Chem Phys. 2020. PMID: 33687226 Free article.

5

An analysis of valence electronic structure from a viewpoint of resonance theory: Tautomerization of formamide and diazadiboretidine.

Nakatani K, Higashi M, Fukuda R, Sato H. Nakatani K, et al. Among authors: higashi m. J Comput Chem. 2021 Sep 5;42(23):1662-1669. doi: 10.1002/jcc.26703. Epub 2021 Jun 10. J Comput Chem. 2021. PMID: 34114237 Free article.

6

Theoretical study on isomerization of α-acids: A DFT calculation.

Kimura M, Ito T, Sato H, Higashi M. Kimura M, et al. Among authors: higashi m. Food Chem. 2021 Dec 1;364:130418. doi: 10.1016/j.foodchem.2021.130418. Epub 2021 Jun 23. Food Chem. 2021. PMID: 34192634 Free article.

7

Theoretical study of the mechanism of the solvent dependency of ESIPT in HBT.

Naka K, Sato H, Higashi M. Naka K, et al. Among authors: higashi m. Phys Chem Chem Phys. 2021 Sep 22;23(36):20080-20085. doi: 10.1039/d0cp06604d. Phys Chem Chem Phys. 2021. PMID: 34338683 Free article.

8

Excited states of chlorophyll a and b in solution by time-dependent density functional theory.

Zhu Z, Higashi M, Saito S. Zhu Z, et al. Among authors: higashi m. J Chem Phys. 2022 Mar 28;156(12):124111. doi: 10.1063/5.0083395. J Chem Phys. 2022. PMID: 35364877

9

Chemical Shift of Solvated Hydride Ion: Comparative Study with Solvated Fluoride Ion.

Imamura K, Higashi M, Kobayashi Y, Kageyama H, Sato H. Imamura K, et al. Among authors: higashi m. J Phys Chem B. 2022 Apr 28;126(16):3090-3098. doi: 10.1021/acs.jpcb.2c00326. Epub 2022 Apr 15. J Phys Chem B. 2022. PMID: 35427138 Free article.

10

Solvation in nitration of benzene and the valence electronic structure of the Wheland intermediate.

Nakatani K, Teshigawara S, Tanahashi Y, Kasahara K, Higashi M, Sato H. Nakatani K, et al. Among authors: higashi m. Phys Chem Chem Phys. 2022 Jul 13;24(27):16453-16461. doi: 10.1039/d2cp01699k. Phys Chem Chem Phys. 2022. PMID: 35647764 Free article.

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