Maezono R - Search Results

1

Valence Band Engineering of Layered Bismuth Oxyhalides toward Stable Visible-Light Water Splitting: Madelung Site Potential Analysis.

Kato D, Hongo K, Maezono R, Higashi M, Kunioku H, Yabuuchi M, Suzuki H, Okajima H, Zhong C, Nakano K, Abe R, Kageyama H. Kato D, et al. Among authors: maezono r. J Am Chem Soc. 2017 Dec 27;139(51):18725-18731. doi: 10.1021/jacs.7b11497. Epub 2017 Dec 14. J Am Chem Soc. 2017. PMID: 29210576

2

Interpretation of Hund's multiplicity rule for the carbon atom.

Hongo K, Maezono R, Kawazoe Y, Yasuhara H, Towler MD, Needs RJ. Hongo K, et al. Among authors: maezono r. J Chem Phys. 2004 Oct 15;121(15):7144-7. doi: 10.1063/1.1795151. J Chem Phys. 2004. PMID: 15473780

3

Random number generators tested on quantum Monte Carlo simulations.

Hongo K, Maezono R, Miura K. Hongo K, et al. Among authors: maezono r. J Comput Chem. 2010 Aug;31(11):2186-94. doi: 10.1002/jcc.21509. J Comput Chem. 2010. PMID: 20336769

4

Diffusion Monte Carlo Study of Para-Diiodobenzene Polymorphism Revisited.

Hongo K, Watson MA, Iitaka T, Aspuru-Guzik A, Maezono R. Hongo K, et al. Among authors: maezono r. J Chem Theory Comput. 2015 Mar 10;11(3):907-17. doi: 10.1021/ct500401p. Epub 2015 Mar 2. J Chem Theory Comput. 2015. PMID: 26579744

5

The Importance of Electron Correlation on Stacking Interaction of Adenine-Thymine Base-Pair Step in B-DNA: A Quantum Monte Carlo Study.

Hongo K, Cuong NT, Maezono R. Hongo K, et al. Among authors: maezono r. J Chem Theory Comput. 2013 Feb 12;9(2):1081-6. doi: 10.1021/ct301065f. Epub 2013 Jan 22. J Chem Theory Comput. 2013. PMID: 26588751

6

Phonon dispersions and Fermi surfaces nesting explaining the variety of charge ordering in titanium-oxypnictides superconductors.

Nakano K, Hongo K, Maezono R. Nakano K, et al. Among authors: maezono r. Sci Rep. 2016 Jul 19;6:29661. doi: 10.1038/srep29661. Sci Rep. 2016. PMID: 27430418 Free PMC article.

7

Bayesian molecular design with a chemical language model.

Ikebata H, Hongo K, Isomura T, Maezono R, Yoshida R. Ikebata H, et al. Among authors: maezono r. J Comput Aided Mol Des. 2017 Apr;31(4):379-391. doi: 10.1007/s10822-016-0008-z. Epub 2017 Mar 9. J Comput Aided Mol Des. 2017. PMID: 28281211 Free PMC article.

8

New Insight into the Ground State of FePc: A Diffusion Monte Carlo Study.

Ichibha T, Hou Z, Hongo K, Maezono R. Ichibha T, et al. Among authors: maezono r. Sci Rep. 2017 May 17;7(1):2011. doi: 10.1038/s41598-017-01668-6. Sci Rep. 2017. PMID: 28515425 Free PMC article.

9

A Computational Scheme To Evaluate Hamaker Constants of Molecules with Practical Size and Anisotropy.

Hongo K, Maezono R. Hongo K, et al. Among authors: maezono r. J Chem Theory Comput. 2017 Nov 14;13(11):5217-5230. doi: 10.1021/acs.jctc.6b01159. Epub 2017 Oct 26. J Chem Theory Comput. 2017. PMID: 28981266

10

Investigation into Structural Phase Transitions in Layered Titanium-Oxypnictides by a Computational Phonon Analysis.

Nakano K, Hongo K, Maezono R. Nakano K, et al. Among authors: maezono r. Inorg Chem. 2017 Nov 20;56(22):13732-13740. doi: 10.1021/acs.inorgchem.7b01709. Epub 2017 Nov 2. Inorg Chem. 2017. PMID: 29094926

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