Tomomi Shimazaki: search on Z-Library

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1

[ACM Press the 3rd International Workshop - Austin, Texas (2015.11.15-2015.11.15)] Proceedings of the 3rd International Workshop on Software Engineering for High Performance Computing in Computational Science and Engineering - SE-HPCCSE '15 - Developing a high-performance quantum chemistry program with a dynamic scripting language

Shimazaki, Tomomi, Hashimoto, Masatomo, Maeda, Toshiyuki

Year:

2015

Language:

english

File:

PDF, 1.29 MB

english, 2015

2

Development of a Method for Evaluating Drug-Likeness and Ease of Synthesis Using a Data Set in which Compounds Are Assigned Scores Based on Chemists′ Intuition.

Yuji Takaoka, Yutaka Endo, Susumu Yamanobe, Hiroyuki Kakinuma, Taketoshi Okubo, Youichi Shimazaki, Tomomi Ota, Shigeyuki Sumiya, Kensei Yoshikawa

Journal:

Year:

2003

File:

PDF, 55 KB

2003

3

Band structure calculations based on screened Fock exchange method

Tomomi Shimazaki, Yoshihiro Asai

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 268 KB

english, 2008

4

Theoretical study of molecular conduction: I. Effective Green's function based on perturbation theory

Tomomi Shimazaki, Koichi Yamashita

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 258 KB

english, 2006

5

A theoretical study of molecular conduction. V. NEGF-based MP2 approach

Tomomi Shimazaki, Koichi Yamashita

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 173 KB

english, 2009

6

On the Brillouin-zone integrations in second-order many-body perturbation calculations for extended systems of one-dimensional periodicity

Tomomi Shimazaki, So Hirata

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 114 KB

english, 2009

7

Density functional theory study on quasi-three-dimensional oxidized platinum surface: phase transition between α-PtO2-like and β-PtO2-like structures

Tomomi Shimazaki, Toshiya Suzuki, Momoji Kubo

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2011

Language:

english

File:

PDF, 460 KB

english, 2011

8

Molecular characteristics of the Taiwanese multiple drug-resistant ST59 clone of Panton-Valentine leucocidin-positive community-acquired methicillin-resistantStaphylococcus aureusfrom pediatric cellulitis

Wataru Higuchi, Wei-Chun Hung, Tomomi Takano, Yasuhisa Iwao, Kyoko Ozaki, Hirokazu Isobe, Lee-Jene Teng, Tetsuya Shimazaki, Akihito Honda, Masato Higashide, Hideaki Hanaki, Tatsuo Yamamoto

Journal:

Journal of Infection and Chemotherapy

Year:

2010

Language:

english

File:

PDF, 265 KB

english, 2010

9

Analytical energy gradient of Gaussian and Fourier transform (GFT) method for periodic condensed systems

Tomomi Shimazaki, Momoji Kubo

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 281 KB

english, 2011

10

Structural relationship of curcumin derivatives binding to the BRCT domain of human DNA polymerase λ

Toshifumi Takeuchi, Tomomi Ishidoh, Hiroshi Iijima, Isoko Kuriyama, Noriko Shimazaki, Osamu Koiwai, Kouji Kuramochi, Susumu Kobayashi, Fumio Sugawara, Kengo Sakaguchi, Hiromi Yoshida, Yoshiyuki Mizush

Journal:

Year:

2006

Language:

english

File:

PDF, 386 KB

english, 2006

11

The C-terminal kinase fragment of Arabidopsis phototropin 2 triggers constitutive phototropin responses

Sam-Geun Kong, Toshinori Kinoshita, Ken-ichiro Shimazaki, Nobuyoshi Mochizuki, Tomomi Suzuki, Akira Nagatani

Journal:

The Plant Journal

Year:

2007

Language:

english

File:

PDF, 1.04 MB

english, 2007

12

Molecular basis of the functional specificities of phototropin 1 and 2

Yusuke Aihara, Ryohei Tabata, Tomomi Suzuki, Ken-ichiro Shimazaki, Akira Nagatani

Journal:

The Plant Journal

Year:

2008

Language:

english

File:

PDF, 943 KB

english, 2008

13

Efficient density functional theory calculations with weak hydrogen quantum effect: Electron density analysis

Tomomi Shimazaki, Momoji Kubo

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 306 KB

english, 2012

14

Some anti-chronic inflammatory compounds are DNA polymerase λ-specific inhibitors

Yoshiyuki Mizushina, Mitsuru Hirota, Chikako Murakami, Tomomi Ishidoh, Shinji Kamisuki, Noriko Shimazaki, Masaharu Takemura, Marinela Perpelescu, Motoshi Suzuki, Hiromi Yoshida, Fumio Sugawara, Osamu

Journal:

Biochemical Pharmacology

Year:

2003

Language:

english

File:

PDF, 186 KB

english, 2003

15

Monoacetylcurcumin: A new inhibitor of eukaryotic DNA polymerase λ and a new ligand for inhibitor-affinity chromatography

Yoshiyuki Mizushina, Tomomi Ishidoh, Toshifumi Takeuchi, Noriko Shimazaki, Osamu Koiwai, Kouji Kuramochi, Susumu Kobayashi, Fumio Sugawara, Kengo Sakaguchi, Hiromi Yoshida

Journal:

Biochemical and Biophysical Research Communications

Year:

2005

Language:

english

File:

PDF, 168 KB

english, 2005

16

Theoretical study of the lineshape of inelastic electron tunneling spectroscopy

Shimazaki, Tomomi, Asai, Yoshihiro

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 725 KB

english, 2008

17

A theoretical study of molecular conduction. III. A nonequilibrium-Green’s-function-based Hartree-Fock approach

Shimazaki, Tomomi, Xue, Yongqiang, Ratner, Mark A., Yamashita, Koichi

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 771 KB

english, 2006

18

A theoretical study of molecular conduction. II. A Hartree-Fock approach to transmission probability

Shimazaki, Tomomi, Maruyama, Hitoshi, Asai, Yoshihiro, Yamashita, Koichi

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 474 KB

english, 2005

19

Controlling Formation of Single-Molecule Junctions by Electrochemical Reduction of Diazonium Terminal Groups

Hines, Thomas, Díez-Pérez, Ismael, Nakamura, Hisao, Shimazaki, Tomomi, Asai, Yoshihiro, Tao, Nongjian

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 244 KB

english, 2013

20

Communication: Different behavior of Young's modulus and fracture strength of CeO2: Density functional theory calculations

Sakanoi, Ryota, Shimazaki, Tomomi, Xu, Jingxiang, Higuchi, Yuji, Ozawa, Nobuki, Sato, Kazuhisa, Hashida, Toshiyuki, Kubo, Momoji

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 573 KB

english, 2014

21

Density functional theory analysis of methanation reaction of CO2 on Ru nanoparticle supported on TiO2 (101)

Akamaru, Satoshi, Shimazaki, Tomomi, Kubo, Momoji, Abe, Takayuki

Journal:

Applied Catalysis A: General

Year:

2014

Language:

english

File:

PDF, 2.05 MB

english, 2014

22

Range-Separation Density-Fitting Band Structure Calculation with Gaussian Auxiliary Function

Shimazaki, Tomomi, Kosugi, Taichi, Nakajima, Takahito

Journal:

Journal of the Physical Society of Japan

Year:

2014

Language:

english

File:

PDF, 131 KB

english, 2014

23

Theoretical Rate Constants of Super-Exchange Hole Transfer and Thermally Induced Hopping in DNA

Shimazaki, Tomomi, Asai, Yoshihiro, Yamashita, Koichi

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 468 KB

english, 2005

24

Electronic Structure Calculations under Periodic Boundary Conditions Based on the Gaussian and Fourier Transform (GFT) Method

Shimazaki, Tomomi, Asai, Yoshihiro

Journal:

Journal of Chemical Theory and Computation

Year:

2009

Language:

english

File:

PDF, 129 KB

english, 2009

25

Tribochemical Reaction Dynamics Simulation of Hydrogen on a Diamond-like Carbon Surface Based on Tight-Binding Quantum Chemical Molecular Dynamics

Hayashi, Kentaro, Tezuka, Kotoe, Ozawa, Nobuki, Shimazaki, Tomomi, Adachi, Koshi, Kubo, Momoji

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 4.46 MB

english, 2011

26

Chemical Synthesis and Properties of 5-Taurinomethyluridine and 5-Taurinomethyl-2-thiouridine

Ogata, Toshihiko, Shimazaki, Tomomi, Umemoto, Tadashi, Kurata, Shinya, Ohtsuki, Takashi, Suzuki, Tsutomu, Wada, Takeshi

Journal:

Journal of Organic Chemistry

Year:

2009

Language:

english

File:

PDF, 473 KB

english, 2009

27

Petasiphenol: A DNA Polymerase λ Inhibitor †

Mizushina, Yoshiyuki, Kamisuki, Shinji, Kasai, Nobuyuki, Ishidoh, Tomomi, Shimazaki, Noriko, Takemura, Masaharu, Asahara, Hitomi, Linn, Stuart, Yoshida, Shonen, Koiwai, Osamu, Sugawara, Fumio, Yoshida

Journal:

Year:

2002

Language:

english

File:

PDF, 406 KB

english, 2002

28

Fate of methanol molecule sandwiched between hydrogen-terminated diamond-like carbon films by tribochemical reactions: tight-binding quantum chemical molecular dynamics study

Hayashi, Kentaro, Sato, Seiichiro, Bai, Shandan, Higuchi, Yuji, Ozawa, Nobuki, Shimazaki, Tomomi, Adachi, Koshi, Martin, Jean-Michel, Kubo, Momoji

Journal:

Faraday Discussions

Year:

2012

Language:

english

File:

PDF, 1.66 MB

english, 2012

29

Dielectric-dependent screened Hartree–Fock exchange potential and Slater-formula with Coulomb-hole interaction for energy band structure calculations

Shimazaki, Tomomi, Nakajima, Takahito

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 409 KB

english, 2014

30

Fast second-order many-body perturbation method for extended systems

Hirata, So, Shimazaki, Tomomi

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 313 KB

english, 2009

31

Bias voltage dependence on the vibronic electric current

Shimazaki, Tomomi, Asai, Yoshihiro

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 591 KB

english, 2008

32

OCT Evaluation of Neuroprotective Effects of Tafluprost on Retinal Injury After Intravitreal Injection of Endothelin-1 in the Rat Eye

Nagata, Atsushi, Omachi, Katsumi, Higashide, Tomomi, Shirae, Satoshi, Shimazaki, Atsushi, Nakamura, Masatsugu, Ishida, Naruhiro, Sugiyama, Kazuhisa

Journal:

Investigative Opthalmology & Visual Science

Year:

2014

Language:

english

File:

PDF, 671 KB

english, 2014

33

Theoretical study of exciton dissociation through hot states at donor–acceptor interface in organic photocell

Shimazaki, Tomomi, Nakajima, Takahito

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.87 MB

english, 2015

34

Energy band structure calculations based on screened Hartree–Fock exchange method: Si, AlP, AlAs, GaP, and GaAs

Shimazaki, Tomomi, Asai, Yoshihiro

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 622 KB

english, 2010

35

Gaussian-based cutoff scheme on Hartree–Fock exchange term of dielectric-dependent potential

Shimazaki, Tomomi, Nakajima, Takahito

Journal:

Chemical Physics Letters

Year:

2015

Language:

english

File:

PDF, 446 KB

english, 2015

36

Communication: The reason why +c ZnO surface is less stable than −c ZnO surface: First-principles calculation

Ito, Seitaro, Shimazaki, Tomomi, Kubo, Momoji, Koinuma, Hideomi, Sumiya, Masatomo

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 699 KB

english, 2011

37

Theoretical study of a screened Hartree–Fock exchange potential using position-dependent atomic dielectric constants

Shimazaki, Tomomi, Nakajima, Takahito

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.15 MB

english, 2015

38

An anatomic study of the attachments on the condylar process of the mandible: muscle bundles from the temporalis

Sakaguchi-Kuma, Tomomi, Hayashi, Nao, Fujishiro, Hitomi, Yamaguchi, Kumiko, Shimazaki, Kazuo, Ono, Takashi, Akita, Keiichi

Journal:

Surgical and Radiologic Anatomy

Year:

2016

Language:

english

File:

PDF, 2.03 MB

english, 2016

39

Gaussian-based range-separation approach on Hartree–Fock exchange interaction and second-order perturbation theory

Shimazaki, Tomomi, Nakajima, Takahito

Journal:

Chemical Physics Letters

Year:

2016

Language:

english

File:

PDF, 726 KB

english, 2016

40

A theoretical study of molecular conduction: IV. A three-terminal molecular device

Shimazaki, Tomomi, Yamashita, Koichi

Journal:

Year:

2007

Language:

english

File:

PDF, 391 KB

english, 2007

41

Application of the dielectric-dependent screened exchange potential approach to organic photocell materials

Shimazaki, Tomomi, Nakajima, Takahito

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.85 MB

english, 2016

42

Theoretical study on the cooperative exciton dissociation process based on dimensional and hot charge-transfer state effects in an organic photocell

Shimazaki, Tomomi, Nakajima, Takahito

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.08 MB

english, 2016

43

Improved in-cell structure determination of proteins at near-physiological concentration

Ikeya, Teppei, Hanashima, Tomomi, Hosoya, Saori, Shimazaki, Manato, Ikeda, Shiro, Mishima, Masaki, Güntert, Peter, Ito, Yutaka

Journal:

Scientific Reports

Year:

2016

Language:

english

File:

PDF, 1.98 MB

english, 2016

44

First principles band structure calculations based on self-consistent screened Hartree–Fock exchange potential

Shimazaki, Tomomi, Asai, Yoshihiro

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 399 KB

english, 2009

45

Group molecular orbital approach to solve the Huzinaga subsystem self-consistent-field equations

Shimazaki, Tomomi, Kitaura, Kazuo, Fedorov, Dmitri G., Nakajima, Takahito

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 5.68 MB

english, 2017

46

A case series of histoplasmosis patients with elevated serum soluble interleukin-2 receptor levels

Hirayama, Tatsuro, Takazono, Takahiro, Iwata, Kazuma, Senju, Hiroaki, Shimazaki, Takaharu, Tashiro, Masato, Saijo, Tomomi, Tanaka, Takeshi, Nakamura, Shigeki, Imamura, Yoshifumi, Kojiro, Maiko, Miyaza

Journal:

Journal of Infection and Chemotherapy

Year:

2017

Language:

english

File:

PDF, 1.46 MB

english, 2017

47

PubChemQC Project: a Large-Scale First-Principles Electronic Structure Database for Data-driven Chemistry

Nakata, Maho, Shimazaki, Tomomi

Journal:

Journal of Chemical Information and Modeling

Year:

2017

Language:

english

File:

PDF, 3.35 MB

english, 2017

48

A theoretical study on hot charge-transfer states and dimensional effects of organic photocells based on an ideal diode model

Shimazaki, Tomomi, Nakajima, Takahito

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 2.31 MB

english, 2017

49

Alteration of matrix metalloproteinase-3 O-glycan structure as a biomarker for disease activity of rheumatoid arthritis

Takeshita, Masaru, Kuno, Atsushi, Suzuki, Katsuya, Matsuda, Atsushi, Shimazaki, Hiroko, Nakagawa, Tomomi, Otomo, Yuki, Kabe, Yasuaki, Suematsu, Makoto, Narimatsu, Hisashi, Takeuchi, Tsutomu

Journal:

Arthritis Research & Therapy

Year:

2016

Language:

english

File:

PDF, 917 KB

english, 2016

50

Theoretical study on mesoscopic-size impurity effects in the charge separation process of organic photocells

Shimazaki, Tomomi, Tashiro, Motomichi, Nakajima, Takahito

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 2.73 MB

english, 2018