Taketsugu T - Search Results

1

Ab initio studies on the photophysics of uric acid and its monohydrates: role of the water molecule.

Yamazaki S, Urashima SH, Saigusa H, Taketsugu T. Yamazaki S, et al. Among authors: taketsugu t. J Phys Chem A. 2014 Feb 13;118(6):1132-41. doi: 10.1021/jp411880z. Epub 2014 Feb 4. J Phys Chem A. 2014. PMID: 24446809

2

Identification of the matrix shift: a fingerprint for neutral neon complex?

Taketsugu Y, Noro T, Taketsugu T. Taketsugu Y, et al. Among authors: taketsugu t. J Phys Chem A. 2008 Feb 7;112(5):1018-23. doi: 10.1021/jp710792c. Epub 2008 Jan 15. J Phys Chem A. 2008. PMID: 18193854

3

Ab initio QM/MM molecular dynamics study on the excited-state hydrogen transfer of 7-azaindole in water solution.

Kina D, Nakayama A, Noro T, Taketsugu T, Gordon MS. Kina D, et al. Among authors: taketsugu t. J Phys Chem A. 2008 Oct 9;112(40):9675-83. doi: 10.1021/jp804368p. Epub 2008 Sep 11. J Phys Chem A. 2008. PMID: 18785694

4

Ab initio molecular dynamics study of H2 formation inside POSS compounds.

Kudo T, Taketsugu T, Gordon MS. Kudo T, et al. Among authors: taketsugu t. J Phys Chem A. 2011 Apr 7;115(13):2679-91. doi: 10.1021/jp1105778. Epub 2011 Mar 11. J Phys Chem A. 2011. PMID: 21395278

5

Ultrafast nonradiative decay of electronically excited States of malachite green: ab initio calculations.

Nakayama A, Taketsugu T. Nakayama A, et al. Among authors: taketsugu t. J Phys Chem A. 2011 Aug 18;115(32):8808-15. doi: 10.1021/jp203415m. Epub 2011 Jul 25. J Phys Chem A. 2011. PMID: 21786771

6

Ab initio molecular dynamics approach to tunneling splitting in polyatomic molecules.

Ootani Y, Taketsugu T. Ootani Y, et al. Among authors: taketsugu t. J Comput Chem. 2012 Jan 5;33(1):60-5. doi: 10.1002/jcc.21943. Epub 2011 Sep 29. J Comput Chem. 2012. PMID: 21956595

7

Nonradiative deactivation mechanisms of uracil, thymine, and 5-fluorouracil: a comparative ab initio study.

Yamazaki S, Taketsugu T. Yamazaki S, et al. Among authors: taketsugu t. J Phys Chem A. 2012 Jan 12;116(1):491-503. doi: 10.1021/jp206546g. Epub 2011 Dec 29. J Phys Chem A. 2012. PMID: 22171528

8

Theoretical study of the excited-state double proton transfer in the (3-methyl-7-azaindole)-(7-azaindole) heterodimer.

Yu XF, Yamazaki S, Taketsugu T. Yu XF, et al. Among authors: taketsugu t. J Comput Chem. 2012 Jul 30;33(20):1701-8. doi: 10.1002/jcc.23000. Epub 2012 May 2. J Comput Chem. 2012. PMID: 22549519

9

Photoreaction channels of the guanine-cytosine base pair explored by long-range corrected TDDFT calculations.

Yamazaki S, Taketsugu T. Yamazaki S, et al. Among authors: taketsugu t. Phys Chem Chem Phys. 2012 Jul 7;14(25):8866-77. doi: 10.1039/c2cp23867e. Epub 2012 May 17. Phys Chem Chem Phys. 2012. PMID: 22596076 Free article.

10

Theoretical study on water-mediated excited-state multiple proton transfer in 7-azaindole: significance of hydrogen bond rearrangement.

Yu XF, Yamazaki S, Taketsugu T. Yu XF, et al. Among authors: taketsugu t. J Phys Chem A. 2012 Nov 1;116(43):10566-73. doi: 10.1021/jp308535h. Epub 2012 Oct 18. J Phys Chem A. 2012. PMID: 23043464

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