Kato S - Search Results

1

Role of Asp102 in the catalytic relay system of serine proteases: a theoretical study.

Ishida T, Kato S. Ishida T, et al. Among authors: kato s. J Am Chem Soc. 2004 Jun 9;126(22):7111-8. doi: 10.1021/ja030405u. J Am Chem Soc. 2004. PMID: 15174882

2

Theoretical perspectives on the reaction mechanism of serine proteases: the reaction free energy profiles of the acylation process.

Ishida T, Kato S. Ishida T, et al. Among authors: kato s. J Am Chem Soc. 2003 Oct 1;125(39):12035-48. doi: 10.1021/ja021369m. J Am Chem Soc. 2003. PMID: 14505425

3

Solvent effect on conical intersections in excited-state 9H-adenine: radiationless decay mechanism in polar solvent.

Yamazaki S, Kato S. Yamazaki S, et al. Among authors: kato s. J Am Chem Soc. 2007 Mar 14;129(10):2901-9. doi: 10.1021/ja0669169. Epub 2007 Feb 14. J Am Chem Soc. 2007. PMID: 17298065

4

Ab initio calculation of proton-coupled electron transfer rates using the external-potential representation: a ubiquinol complex in solution.

Yamamoto T, Kato S. Yamamoto T, et al. Among authors: kato s. J Chem Phys. 2007 Jun 14;126(22):224514. doi: 10.1063/1.2737048. J Chem Phys. 2007. PMID: 17581070 Free article.

5

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. Among authors: kato s. J Chem Phys. 2007 Apr 14;126(14):144503. doi: 10.1063/1.2715941. J Chem Phys. 2007. PMID: 17444719

6

Potential energy surfaces and dynamics of Ni2+ ion aqueous solution: molecular dynamics simulation of the electronic absorption spectrum.

Iuchi S, Morita A, Kato S. Iuchi S, et al. Among authors: kato s. J Chem Phys. 2004 Nov 1;121(17):8446-57. doi: 10.1063/1.1788654. J Chem Phys. 2004. PMID: 15511168

7

A theoretical study on excited state double proton transfer reaction of a 7-azaindole dimer: an ab initio potential energy surface and its empirical valence bond model.

Ando K, Hayashi S, Kato S. Ando K, et al. Among authors: kato s. Phys Chem Chem Phys. 2011 Jun 21;13(23):11118-27. doi: 10.1039/c1cp20420c. Epub 2011 May 9. Phys Chem Chem Phys. 2011. PMID: 21552642

8

Locating the lowest free-energy point on conical intersection in polar solvent: reference interaction site model self-consistent field study of ethylene and CH2NH2(+).

Yamazaki S, Kato S. Yamazaki S, et al. Among authors: kato s. J Chem Phys. 2005 Sep 15;123(11):114510. doi: 10.1063/1.2038867. J Chem Phys. 2005. PMID: 16392576

9

Quantum dynamics study on multichannel dissociation and isomerization reactions of formaldehyde.

Yonehara T, Kato S. Yonehara T, et al. Among authors: kato s. J Chem Phys. 2006 Aug 28;125(8):084307. doi: 10.1063/1.2338041. J Chem Phys. 2006. PMID: 16965012

For this purpose, the previously developed potential energy function [T. Yonehara and S. Kato, J. Chem. Phys. 117, 11131 (2002)] is refined to give accurate transition state energies and to describe the radical dissociation channel. ...

For this purpose, the previously developed potential energy function [T. Yonehara and S. Kato, J. Chem. Phys. 117, 11131 (2002 …

10

Theoretical study on electronic and spin structures of [Fe2S2](2+,+) cluster: reference interaction site model self-consistent field (RISM-SCF) and multireference second-order Møller-Plesset perturbation theory (MRMP) approach.

Higashi M, Kato S. Higashi M, et al. Among authors: kato s. J Phys Chem A. 2005 Nov 3;109(43):9867-74. doi: 10.1021/jp0581429. J Phys Chem A. 2005. PMID: 16833302

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