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1

Unrestricted density functional theory based on the fragment molecular orbital method for the ground and excited state calculations of large systems

Nakata, Hiroya, Fedorov, Dmitri G., Yokojima, Satoshi, Kitaura, Kazuo, Sakurai, Minoru, Nakamura, Shinichiro

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.45 MB

english, 2014

2

Analytic Gradient for Density Functional Theory Based on the Fragment Molecular Orbital Method

Brorsen, Kurt R., Zahariev, Federico, Nakata, Hiroya, Fedorov, Dmitri G., Gordon, Mark S.

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 1.08 MB

english, 2014

3

Unrestricted Hartree-Fock based on the fragment molecular orbital method: Energy and its analytic gradient

Nakata, Hiroya, Fedorov, Dmitri G., Nagata, Takeshi, Yokojima, Satoshi, Ogata, Koji, Kitaura, Kazuo, Nakamura, Shinichiro

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 673 KB

english, 2012

4

Efficacy of Lansoprazole and Amoxicillin in Eradicating Helicobacter pylori

Nakata, Hiroya, Itoh, Hidekazu, Nishioka, Shingo

Journal:

Journal of Clinical Gastroenterology

Year:

1995

File:

PDF, 186 KB

1995

5

Impacts of the Fukushima Nuclear Accident on Fish and Fishing Grounds || Comparison of the Radioactive Cesium Contamination Level of Fish and their Habitat Among Three Lakes in Fukushima Prefecture, Japan, After the Fukushima Fallout

Nakata, Kaoru, Sugisaki, Hiroya

Year:

2015

Language:

english

File:

PDF, 412 KB

english, 2015

6

Importance of Three-Body Interactions in Molecular Dynamics Simulations of Water Demonstrated with the Fragment Molecular Orbital Method

Pruitt, Spencer R., Nakata, Hiroya, Nagata, Takeshi, Mayes, Maricris, Alexeev, Yuri, Fletcher, Graham, Fedorov, Dmitri G., Kitaura, Kazuo, Gordon, Mark S.

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 14.42 MB

english, 2016

7

Extension of the fragment molecular orbital method to treat large open-shell systems in solution

Nakata, Hiroya, Fedorov, Dmitri G., Kitaura, Kazuo, Nakamura, Shinichiro

Journal:

Chemical Physics Letters

Year:

2015

Language:

english

File:

PDF, 1.51 MB

english, 2015

8

Simulations of infrared and Raman spectra in solution using the fragment molecular orbital method

nakata, hiroya, Fedorov, Dmitri G.

Journal:

Physical Chemistry Chemical Physics

Year:

2019

Language:

english

File:

PDF, 1.48 MB

english, 2019

9

Helicobacter pylori and Iron Deficiency Anemia

NAKATA, Hiroya, ICHINOSE, Masao

Journal:

Internal Medicine

Year:

2003

Language:

english

File:

PDF, 330 KB

english, 2003

10

Mimic Breast Cancer as the Location of a Penetrating Breast Artery: A Case Series

Taniguchi, Chiaki, Ohta, Tomoyuki, Nishioka, Makiko, Nakata, Norio, Shirakawa, Takako, Ojiri, Hiroya

Journal:

Ultrasound in Medicine & Biology

Year:

2017

Language:

english

File:

PDF, 183 KB

english, 2017

11

Heterogeneity of Protein Profiles of Helicobacter pylori Isolated from Individual Patients

Noritoshi Kitamoto, Hiromichi Nakamoto, Atsuo Katai, Nobuaki Takahara, Hiroya Nakata, Hidehito Tamaki, Tomoyuki Tanaka

Journal:

Year:

1998

Language:

english

File:

PDF, 650 KB

english, 1998

12

Efficient vibrational analysis for unrestricted Hartree–Fock based on the fragment molecular orbital method

Nakata, Hiroya, Fedorov, Dmitri G., Yokojima, Satoshi, Kitaura, Kazuo, Nakamura, Shinichiro

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 853 KB

english, 2014

13

Relaxation dynamics of the Marangoni convection roll structure induced by camphor concentration gradient

Kitahata, Hiroyuki, Yamamoto, Hiroya, Hata, Misato, Ikura, Yumihiko S., Nakata, Satoshi

Journal:

Colloids and Surfaces A: Physicochemical and Engineering Aspects

Year:

2017

Language:

english

File:

PDF, 1.11 MB

english, 2017

14

Low incidence of HHV ‐6 reactivation in haploidentical hematopoietic stem cell transplantation with corticosteroid as graft‐versus‐host disease prophylaxis compared with cord blood transplantation

Tamaki, Hiroya, Ikegame, Kazuhiro, Yoshihara, Satoshi, Kaida, Katsuji, Yoshihara, Kyoko, Inoue, Takayuki, Kato, Ruri, Nakata, Jun, Fujioka, Tatsuya, Soma, Toshihiro, Okada, Masaya, Ogawa, Hiroyasu

Journal:

Transplant Infectious Disease

Year:

2019

File:

PDF, 284 KB

2019

15

Development of a fragment kinetic Monte Carlo method for efficient prediction of ionic diffusion in perovskite crystals

Journal:

Computational Materials Science

Year:

2020

File:

PDF, 3.84 MB

2020

16

Relationship of Helicobacter pylori-associated Gastritis and Polymorphonuclear Leukocyte Elastase

Hiroya NAKATA, Yukihiro YOKOYA, Jun KAWAI, Shinya KAWAGUCHI, Takeshi HARA, Hidenori NAKATA, Hidekazu ITOH, Shingo NISHIOKA

Journal:

Digestive Endoscopy

Year:

1994

Language:

english

File:

PDF, 510 KB

english, 1994

17

New Reaction Model for O–O Bond Formation and O 2 Evolution Catalyzed by Dinuclear Manganese Complex

Hatakeyama, Makoto, Nakata, Hiroya, Wakabayashi, Masamitsu, Yokojima, Satoshi, Nakamura, Shinichiro

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 3.09 MB

english, 2012

18

Atypical teratoid/rhabdoid tumor in the sella turcica of an elderly female with a distinct vascular pattern and genetic alterations

Nobusawa, Sumihito, Nakata, Satoshi, Hirato, Junko, Kawashima, Takahiro, Sato, Koji, Fujimaki, Hiroya, Okura, Naoki, Ikota, Hayato, Yokoo, Hideaki

Journal:

Virchows Archiv

Year:

2016

Language:

english

File:

PDF, 1.93 MB

english, 2016

19

Myoclonus and Metabolic Alkalosis from Licorice in Antacid

ISHIGUCHI, Tadashi, MIKITA, Naoya, IWATA, Takuya, NAKATA, Hiroya, SATO, Hiroaki, HIGASHIMOTO, Yuji, FUJIMOTO, Hisashi, YOSHIDA, Sohei, ITOH, Hidekazu

Journal:

Internal Medicine

Year:

2004

Language:

english

File:

PDF, 35 KB

english, 2004

20

Coronary stenosis and steal phenomenon in coronary-pulmonary fistula: Assessment with stress thallium tomography after coronary angioplasty and fistulectomy.

MUKAI, HIROYA, MINEMAWARI, YOSHIMORI, HANAWA, NAGISA, MITA, TERUAKI, MOTOE, MASAOMI, NAKATA, TOMOAKI

Journal:

Japanese Circulation Journal

Year:

1993

File:

PDF, 821 KB

1993

21

Changes of blood and BALF levels of arachidonic acid metabolites in pulmonary edema after warm ischemia-reperfusion

Kita, Takashi, Shimizu, Nobuyoshi, Aoe, Motoi, Ichiba, Shingo, Nakata, Masao, Sano, Yoshihumi, Maeda, Hiroya, Miyai, Yoshiaki, Teramoto, Shigeru

Journal:

The Journal of the Japanese Association for Chest Surgery

Year:

1990

File:

PDF, 516 KB

1990

22

Analytic first and second derivatives of the energy in the fragment molecular orbital method combined with molecular mechanics

Nakata, Hiroya, Fedorov, Dmitri G.

Journal:

International Journal of Quantum Chemistry

Year:

2020

File:

PDF, 2.77 MB

2020

23

Register allocation methods of improved software pipelining for loops with conditional branches

Hiroya Itoga, Tomohiro Haraikawa, Yoshiyuki Yamashita, Ikuo Nakata

Journal:

Electronics and Communications in Japan (Part III: Fundamental Electronic Science))

Year:

2006

Language:

english

File:

PDF, 362 KB

english, 2006

24

Selection of the Rotation Direction for a Camphor Disk Resulting from Chiral Asymmetry of a Water Chamber

Nakata, Satoshi, Yamamoto, Hiroya, Koyano, Yuki, Yamanaka, Osamu, Sumino, Yutaka, Suematsu, Nobuhiko J., Kitahata, Hiroyuki, Skrobanska, Paulina, Gorecki, Jerzy

Journal:

Journal of Physical Chemistry B

Year:

2016

Language:

english

File:

PDF, 1.38 MB

english, 2016

25

Efficient Geometry Optimization of Large Molecular Systems in Solution Using the Fragment Molecular Orbital Method

Nakata, Hiroya, Fedorov, Dmitri G.

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 11.88 MB

english, 2016

26

Gastric cancer screening of a high-risk population in Japan using serum pepsinogen and barium digital radiography

Hiroshi Ohata, Masashi Oka, Kimihiko Yanaoka, Yasuhito Shimizu, Chizu Mukoubayashi, Kouichi Mugitani, Masataka Iwane, Hideya Nakamura, Hideyuki Tamai, Kenji Arii, Hiroya Nakata, Noriko Yoshimura, Tets

Journal:

Year:

2005

Language:

english

File:

PDF, 182 KB

english, 2005

27

Large-Scale Quantum-Mechanical Molecular Dynamics Simulations Using Density-Functional Tight-Binding Combined with the Fragment Molecular Orbital Method

Nishimoto, Yoshio, Nakata, Hiroya, Fedorov, Dmitri G., Irle, Stephan

Journal:

The Journal of Physical Chemistry Letters

Year:

2015

Language:

english

File:

PDF, 2.48 MB

english, 2015

28

BRONJ (bisphosphonate-related Osteonecrosis of the Jaw) with Liver Abscess.

Kida, Hiroya, Kayama, Toshinari, Nakata, Hitoshi, Matuzaki, Takeo, Ueyama, Katsura

Journal:

Nihon Naika Gakkai Zasshi

Year:

2010

File:

PDF, 433 KB

2010

29

IVIG in childhood primary angiitis of the central nervous system: A case report

Nishida, Hiroya, Kumada, Satoko, Komori, Takashi, Takai, Keisuke, Mori, Harushi, Morino, Michiharu, Suzuki, Hiromi, Mashimo, Hideaki, Inoue, Kenji, Arisaka, Atsuko, Fukuda, Mitsumasa, Nakata, Yasuhiro

Journal:

Brain and Development

Year:

2020

File:

PDF, 847 KB

2020

30

Structural or population dynamics: What is revealed by the time-resolved photoelectron spectroscopy of 1,3-cyclohexadiene? A study with an ensemble density functional theory method

Filatov, Michael, Lee, Seunghoon, Nakata, Hiroya, Choi, Cheol Ho

Journal:

Physical Chemistry Chemical Physics

Year:

2020

File:

PDF, 12.55 MB

2020

31

Immunological rapid urease test using monoclonal antibody for Helicobacter pylori

HIROYA NAKATA, HIDEKAZU ITOH, TADASHI ISHIGUCHI, TAKUYA IWATA, HIROAKI SATO, YUJI HIGASHIMOTO, HISASHI FUJIMOTO, MASAO ICHINOSE

Journal:

Journal of Gastroenterology and Hepatology

Year:

2004

Language:

english

File:

PDF, 108 KB

english, 2004

32

Analytic second derivatives of the energy in the fragment molecular orbital method

Nakata, Hiroya, Nagata, Takeshi, Fedorov, Dmitri G., Yokojima, Satoshi, Kitaura, Kazuo, Nakamura, Shinichiro

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.40 MB

english, 2013

33

Significance of Perithyroidal Lymph Nodes in Benign Thyroid Diseases

Ohta, Tomyuki, Nishioka, Makiko, Nakata, Norio, Shirakawa, Takako, Ojiri, Hiroya

Journal:

Ultrasound in Medicine & Biology

Year:

2017

Language:

english

File:

PDF, 223 KB

english, 2017

34

Efficacy of Panitumumab and Cetuximab in Patients with Colorectal Cancer Previously Treated with Bevacizumab; a Combined Analysis of Individual Patient Data from ASPECCT and WJOG6510G

Taniguchi, Hiroya, Yamanaka, Takeharu, Sakai, Daisuke, Muro, Kei, Yamazaki, Kentaro, Nakata, Susumu, Kimura, Hiroyuki, Ruff, Paul, Kim, Tae Won, Peeters, Marc, Price, Timothy

Journal:

Year:

2020

File:

PDF, 1.07 MB

2020

35

2L1424 Theoretical Study on Water Oxidation Reaction Catalyzed by Dinuclear Mn Complex(Photobiology: Photosynthesis,The 48th Annual Meeting of the Biophysical Society of Japan)

Nakata, Hiroya, Hatakeyama, Makoto, Yokojima, Satoshi, Nakamura, Shinnichiro

Journal:

Seibutsu Butsuri

Year:

2011

Language:

english

File:

PDF, 244 KB

english, 2011

36

Dasatinib-induced rapid regression and complete molecular remission of multiple subcutaneous tumours presenting as relapsed chronic myeloid leukaemia after cord blood transplantation

Jun Nakata, Masaya Okada, Hiroya Tamaki, Atsushi Satake, Katsuji Kaida, Satoshi Yoshihara, Ruri Kato, Kazuhiro Ikegame, Hiroyasu Ogawa

Journal:

Leukemia Research

Year:

2011

Language:

english

File:

PDF, 288 KB

english, 2011

37

Different mechanisms causing loss of mismatched human leukocyte antigens in relapsing t(6;11)(q27;q23) acute myeloid leukemia after haploidentical transplantation

Tamaki, Hiroya, Fujioka, Tatsuya, Ikegame, Kazuhiro, Yoshihara, Satoshi, Kaida, Katsuji, Taniguchi, Kyoko, Kato, Ruri, Tokugawa, Taduko, Nakata, Jun, Inoue, Takayuki, Yano, Aya, Eguchi, Ryoji, Okada,

Journal:

European Journal of Haematology

Year:

2012

Language:

english

File:

PDF, 132 KB

english, 2012

38

Simulations of Chemical Reactions with the Frozen Domain Formulation of the Fragment Molecular Orbital Method

Nakata, Hiroya, Fedorov, Dmitri G., Nagata, Takeshi, Kitaura, Kazuo, Nakamura, Shinichiro

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 14.93 MB

english, 2015

39

Analytic second derivative of the energy for density-functional tight-binding combined with the fragment molecular orbital method

Nakata, Hiroya, Nishimoto, Yoshio, Fedorov, Dmitri G.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 5.77 MB

english, 2016

40

Transnasal and standard transoral endoscopies in the screening of gastric mucosal neoplasias

Journal:

World Journal of Gastrointestinal Endoscopy

Year:

2011

Language:

english

File:

PDF, 803 KB

english, 2011

41

From climate regime shifts to lower-trophic level phenology: Synthesis of recent progress in retrospective studies of the western North Pacific

Sanae Chiba, Maki N. Aita, Kazuaki Tadokoro, Toshiro Saino, Hiroya Sugisaki, Kaoru Nakata

Journal:

Progress in Oceanography

Year:

2008

Language:

english

File:

PDF, 1.90 MB

english, 2008

42

Efficient Molecular Dynamics Simulations of Multiple Radical Center Systems Based on the Fragment Molecular Orbital Method

Nakata, Hiroya, Schmidt, Michael W., Fedorov, Dmitri G., Kitaura, Kazuo, Nakamura, Shinichiro, Gordon, Mark S.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 2.15 MB

english, 2014

43

Marangoni flow around a camphor disk regenerated by the interaction between camphor and sodium dodecyl sulfate molecules

Nakata, Satoshi, Tenno, Ryoichi, Deguchi, Ayano, Yamamoto, Hiroya, Hiraga, Yoshikazu, Izumi, Shunsuke

Journal:

Colloids and Surfaces A: Physicochemical and Engineering Aspects

Year:

2015

Language:

english

File:

PDF, 932 KB

english, 2015

44

Benign Lymphoepithelial Lesion in the Parotid Gland; A Report of Three Cases.

NAKATA, Seiichi, NAKASHIMA, Tsutomu, KAIDA, Masahide, SUZUKI, Toru, ASAMI, Kiyotaka, SONE, Michihiko, EJIRI, Hiroya, YANAGITA, Noriyuki

Journal:

Practica Oto-Rhino-Laryngologica

Year:

1994

File:

PDF, 7.58 MB

1994

45

Serum antibody againstHelicobacter pyloriassayed by a new capture ELISA

Hiroya Nakata, Hidekazu Itoh, Yukihiro Yokoya, Jun Kawai, Shingo Nishioka, Kazuaki Miyamoto, Noritoshi Kitamoto, Hiroyuki Miyamoto, Tomoyuki Tanaka

Journal:

Journal of Gastroenterology

Year:

1995

Language:

english

File:

PDF, 970 KB

english, 1995

46

Efficient implementations of analytic energy gradient for mixed-reference spin-flip time-dependent density functional theory (MRSF-TDDFT)

Lee, Seunghoon, Kim, Emma Eunji, Nakata, Hiroya, Lee, Sangyoub, Choi, Cheol Ho

Journal:

The Journal of Chemical Physics

Year:

2019

File:

PDF, 1.45 MB

2019

47

Self-oscillating Gel Accelerated while Sensing the Shape of an Aqueous Surface

Yoshii, Miyu, Yamamoto, Hiroya, Sumino, Yutaka, Nakata, Satoshi

Journal:

Year:

2016

Language:

english

File:

PDF, 1.32 MB

english, 2016

48

Serological Differences in Helicobacter pylori

MIYAMOTO, Kazuaki, UEDA, Norihito, NAKATA, Hiroya, KITAMOTO, Noritoshi, TANAKA, Tomoyuki, MIYAMOTO, Hiroyuki

Journal:

Kansenshogaku zasshi

Year:

1997

File:

PDF, 2.87 MB

1997

49

Carotid Artery Stenting in Right-sided Aortic Arch: A Case Report

Ohtani, Toshiyuki, Yamazaki, Tomosato, Ohtaki, Hiroya, Nakata, Satoshi, Sasaguchi, Nobuo, Kato, Noriyuki, Kurihara, Hideyuki, Sonobe, Makoto

Journal:

NMC Case Report Journal

Year:

2016

Language:

english

File:

PDF, 2.17 MB

english, 2016

50

Carotid Artery Rupture Caused by MRSA Infection. A Case Report.

Nakata, Seiichi, Nakashima, Tsutomu, Kaida, Masahide, Suzuki, Toru, Sone, Michihiko, Ejiri, Hiroya, Yanagita, Noriyuki

Journal:

Practica Oto-Rhino-Laryngologica

Year:

1993

File:

PDF, 3.03 MB

1993

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