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51

Correlation effects beyond coupled cluster singles and doubles approximation through Fock matrix dressing

Maitra, Rahul, Nakajima, Takahito

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 669 KB

english, 2017

52

High-throughput screening of perovskite oxynitride and oxide materials for visible-light photocatalysis

Sawada, Keisuke, Nakajima, Takahito

Journal:

Year:

2018

Language:

english

File:

PDF, 457 KB

english, 2018

53

18F-FDG and 18F-FAMT PET-derived metabolic parameters predict outcome of oral squamous cell carcinoma

Kim, Mai, Higuchi, Tetsuya, Nakajima, Takahito, Andriana, Putri, Hirasawa, Hiromi, Tokue, Azusa, Kurihara, Jun, Yokoo, Satoshi, Tsushima, Yoshito

Journal:

Year:

2019

File:

PDF, 742 KB

2019

54

Sa2046 WHICH REGION DOES ARTIFICIAL INTELLIGENCE LOOK AT TO PREDICT T1B COLORECTAL CANCER?: ANALYSIS BASED ON CLASS ACTIVATION MAPPING.

Nakajima, Yuki, Nemoto, Daiki, Zhu, Xin, Guo, Zhe, Li, Qin, Aizawa, Masato, Utano, Kenichi, Isohata, Noriyuki, Endo, Shungo, Shibukawa, Goro, Katsuki, Shinichi, Sagara, Yuichi, Takezawa, Takahito, Hay

Journal:

Gastrointestinal Endoscopy

Year:

2020

File:

PDF, 1.06 MB

2020

55

Ground-state properties of MH, MCl, and M2 (M=Cu, Ag, and Au) calculated by a scalar relativistic density functional theory

Toshihisa Suzumura, Takahito Nakajima, Kimihiko Hirao

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 469 KB

english, 1999

56

An approximate second-order Møller–Plesset perturbation approach for large molecular calculations

Takahito Nakajima, Kimihiko Hirao

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 125 KB

english, 2006

57

Probing the role of tryptophan-derived secondary metabolism in defense responses against Bipolaris oryzae infection in rice leaves by a suicide substrate of tryptophan decarboxylase

Atsushi Ishihara, Takahito Nakao, Yuko Mashimo, Masatoshi Murai, Naoya Ichimaru, Chihiro Tanaka, Hiromitsu Nakajima, Kyo Wakasa, Hisashi Miyagawa

Journal:

Year:

2011

Language:

english

File:

PDF, 778 KB

english, 2011

58

Experimental and theoretical studies on the course of CO insertion into Pt–C and Pd–C bonds in neutral and cationic complexes, [MR(Cl){P(CH3)3}2] and [MR{P(CH3)3}2(s)]+BF4– (M=Pt, Pd, R=CH3, C6H5, s=coordinated solvent)

Yoshihito Kayaki, Hirokazu Tsukamoto, Masaki Kaneko, Isao Shimizu, Akio Yamamoto, Masanori Tachikawa, Takahito Nakajima

Journal:

Journal of Organometallic Chemistry

Year:

2001

Language:

english

File:

PDF, 254 KB

english, 2001

59

Dislocation character transition and related mechanical response in a body-centered cubic single crystal

Ling Zhang, Takahito Ohmura, Kaoru Sekido, Toru Hara, Kiyomi Nakajima, Kaneaki Tsuzaki

Journal:

Scripta Materialia

Year:

2012

Language:

english

File:

PDF, 294 KB

english, 2012

60

Activatable Organic Near-Infrared Fluorescent Probes Based on a Bacteriochlorin Platform: Synthesis and Multicolor in Vivo Imaging with a Single Excitation

Harada, Toshiko, Sano, Kohei, Sato, Kazuhide, Watanabe, Rira, Yu, Zhanqian, Hanaoka, Hirofumi, Nakajima, Takahito, Choyke, Peter L., Ptaszek, Marcin, Kobayashi, Hisataka

Journal:

Bioconjugate Chemistry

Year:

2014

Language:

english

File:

PDF, 5.31 MB

english, 2014

61

MR lymphangiography with intradermal gadofosveset and human serum albumin in mice and primates

Nakajima, Takahito, Turkbey, Baris, Sano, Kohei, Sato, Kazuhide, Bernardo, Marcelino, Hoyt, Robert F., Choyke, Peter L., Kobayashi, Hisataka

Journal:

Journal of Magnetic Resonance Imaging

Year:

2014

Language:

english

File:

PDF, 485 KB

english, 2014

62

A dual-level approach to density-functional theory

Nakajima, Takahito, Hirao, Kimihiko

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 341 KB

english, 2006

63

Two-component relativistic time-dependent density functional theory study on spin-forbidden transitions for metal polypyridyl complexes

Imamura, Yutaka, Kamiya, Muneaki, Nakajima, Takahito

Journal:

Chemical Physics Letters

Year:

2015

Language:

english

File:

PDF, 678 KB

english, 2015

64

Shear wave imaging of in vivo breast tissue by color Doppler shear wave elastography

Yamakoshi, Yoshiki, Nakajima, Takahito, Kasahara, Toshihiro, Yamazaki, Mayuko, Koda, Ren, Sunaguchi, Naoki

Journal:

IEEE Transactions on Ultrasonics Ferroelectrics and Frequency Control

Year:

2016

Language:

english

File:

PDF, 1.70 MB

english, 2016

65

MPI/OpenMP hybrid parallel algorithm for resolution of identity second-order Møller-Plesset perturbation calculation of analytical energy gradient for massively parallel multicore supercomputers

Katouda, Michio, Nakajima, Takahito

Journal:

Journal of Computational Chemistry

Year:

2017

Language:

english

File:

PDF, 1.93 MB

english, 2017

66

Applying near-infrared photoimmunotherapy to B-cell lymphoma: comparative evaluation with radioimmunotherapy in tumor xenografts

Heryanto, Yusri-Dwi, Hanaoka, Hirofumi, Nakajima, Takahito, Yamaguchi, Aiko, Tsushima, Yoshito

Journal:

Annals of Nuclear Medicine

Year:

2017

Language:

english

File:

PDF, 1017 KB

english, 2017

67

Histological changes of superficial esophageal squamous cell carcinoma after preoperative chemotherapy

Sugase, Takahito, Makino, Tomoki, Yamasaki, Makoto, Tanaka, Koji, Hashimoto, Tadayoshi, Miyazaki, Yasuhiro, Takahashi, Tsuyoshi, Kurokawa, Yukinori, Nakajima, Kiyokazu, Mano, Masayuki, Morii, Eiichi,

Journal:

Year:

2018

Language:

english

File:

PDF, 2.01 MB

english, 2018

68

Enhancement of the Stimulated Raman Scattering of Benzene−Toluene Mixtures under Strong Excitation Condition in the Liquid Phase

Yui, Hiroharu, Nakajima, Takahito, Hirao, Kimihiko, Sawada, Tsuguo

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 188 KB

english, 2003

69

Theoretical Investigation of the Excited States of Coumarin Dyes for Dye-Sensitized Solar Cells

Kurashige, Yuki, Nakajima, Takahito, Kurashige, Saki, Hirao, Kimihiko, Nishikitani, Yoshinori

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 178 KB

english, 2007

70

Targeted, Activatable, In Vivo Fluorescence Imaging of Prostate-Specific Membrane Antigen (PSMA) Positive Tumors Using the Quenched Humanized J591 Antibody–Indocyanine Green (ICG) Conjugate

Nakajima, Takahito, Mitsunaga, Makoto, Bander, Neil H., Heston, Warren D., Choyke, Peter L., Kobayashi, Hisataka

Journal:

Bioconjugate Chemistry

Year:

2011

Language:

english

File:

PDF, 3.15 MB

english, 2011

71

Gadolinium MRI Contrast Agents Based on Triazine Dendrimers: Relaxivity and In Vivo Pharmacokinetics

Lim, Jongdoo, Turkbey, Baris, Bernardo, Marcelino, Bryant, L. Henry, Garzoni, Matteo, Pavan, Giovanni M., Nakajima, Takahito, Choyke, Peter L., Simanek, Eric E., Kobayashi, Hisataka

Journal:

Bioconjugate Chemistry

Year:

2012

Language:

english

File:

PDF, 1.76 MB

english, 2012

72

Fluorescence-lifetime molecular imaging can detect invisible peritoneal ovarian tumors in bloody ascites

Nakajima, Takahito, Sano, Kohei, Sato, Kazuhide, Watanabe, Rira, Harada, Toshiko, Hanaoka, Hirofumi, Choyke, Peter L., Kobayashi, Hisataka

Journal:

Year:

2014

Language:

english

File:

PDF, 2.53 MB

english, 2014

73

Theoretical study of valence photoelectron spectra of Re(CO)[sub 5]X (X=Cl, Br, and I): A spin-orbit DK3 symmetry-adapted cluster/symmetry-adapted cluster-configuration interaction study

Nakajima, Takahito, Hane, Shintaro, Hirao, Kimihiko

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 519 KB

english, 2006

74

Relativistic diffusion Monte Carlo method: Zeroth-order regular approximation-diffusion Monte Carlo method in a spin-free formalism

Nakatsuka, Yutaka, Nakajima, Takahito

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 595 KB

english, 2012

75

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

76

Spectroscopic and Computational Study of Acetic Acid and Its Cyclic Dimer in the Near-Infrared Region

Beć, Krzysztof B., Futami, Yoshisuke, Wójcik, Marek J., Nakajima, Takahito, Ozaki, Yukihiro

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 2.52 MB

english, 2016

77

Large-scale QM/MM calculations of the CaMn 4 O 5 cluster in the S 3 state of the oxygen evolving complex of photosystem II. Comparison between water-inserted and no water-inserted structures

Shoji, Mitsuo, Isobe, Hiroshi, Nakajima, Takahito, Shigeta, Yasuteru, Suga, Michihiro, Akita, Fusamichi, Shen, Jian-Ren, Yamaguchi, Kizashi

Journal:

Faraday Discussions

Year:

2017

Language:

english

File:

PDF, 2.64 MB

english, 2017

78

Can Electron-rich Oxygen (O2−) Withdraw Electrons from Metal Centers? —A DFT Study on Oxoanion-caged Polyoxometalates

Takazaki, Aki, Eda, Kazuo, Osakai, Toshiyuki, Nakajima, Takahito

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.41 MB

english, 2017

79

Understanding of two different structures in the dark stable state of oxygen evolving complex of photosystem II by the low-dose XRD method

Yamaguchi, Kizashi, Kamiya, Nobuo, Kawakami, Keisuke, Fukushima, Yoshimasa, Umena, Yasufumi, Isobe, Hiroshi, Nakajima, Takahito, tanaka, ayako, shoji, mitsuo

Journal:

Year:

2017

Language:

english

File:

PDF, 1.54 MB

english, 2017

80

Activatable fluorescence detection of epidermal growth factor receptor positive mediastinal lymph nodes in murine lung cancer model

Zhang, Xieyi, Nakajima, Takahito, Kim, Mai, Yamaguchi, Aiko, Lamid-Ochir, Oyunbold, Nguyen-Thu, Huong, Bhattarai, Anu, Hanaoka, Hirofumi, Tsushima, Yoshito, Ahmad, Aamir

Journal:

Year:

2018

Language:

english

File:

PDF, 11.49 MB

english, 2018

81

Trajectory surface hopping molecular dynamics simulation by spin-flip time-dependent density functional theory

Minezawa, Noriyuki, Nakajima, Takahito

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 2.52 MB

english, 2019

82

Tu2013 IDENTIFICATION OF DEEPLY INVASIVE COLORECTAL CANCER ON NON-MAGNIFIED ENDOSCOPIC IMAGES USING ARTIFICIAL INTELLIGENCE

Zhu, Xin, Nemoto, Daiki, Mizuno, Takaya, Nakajima, Yuki, Utano, Kenichi, Aizawa, Masato, Takezawa, Takahito, Sagara, Yuichi, Hayashi, Yoshikazu, Katsuki, Shinichi, Yamamoto, Hironori, Hewett, David G.

Journal:

Gastrointestinal Endoscopy

Year:

2019

Language:

english

File:

PDF, 201 KB

english, 2019

83

The higher-order Douglas–Kroll transformation

Nakajima, Takahito, Hirao, Kimihiko

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 341 KB

english, 2000

84

A Basic Germanodecatungstate with a −7 Charge: Efficient Chemoselective Acylation of Primary Alcohols

Sugahara, Kosei, Satake, Naoto, Kamata, Keigo, Nakajima, Takahito, Mizuno, Noritaka

Journal:

Angewandte Chemie International Edition

Year:

2014

Language:

english

File:

PDF, 621 KB

english, 2014

85

Photoimmunotherapy of hepatocellular carcinoma-targeting Glypican-3 combined with nanosized albumin-bound paclitaxel

Hanaoka, Hirofumi, Nakajima, Takahito, Sato, Kazuhide, Watanabe, Rira, Phung, Yen, Gao, Wei, Harada, Toshiko, Kim, Insook, Paik, Chang H, Choyke, Peter L, Ho, Mitchell, Kobayashi, Hisataka

Journal:

Year:

2015

Language:

english

File:

PDF, 3.52 MB

english, 2015

86

Relation between Wavelength Dispersion of Refractive Index and Birefringence of Polymers Estimated by Quantum Chemical Calculation and Chemical Structure

KUBOYAMA, Keiichi, IKUTA, Akifumi, NAKAJIMA, Takahito, OUGIZAWA, Toshiaki

Journal:

KOBUNSHI RONBUNSHU

Year:

2009

File:

PDF, 1.15 MB

2009

87

Direct S0âTn Transition in the Photoreaction of Heavy-Atom-Containing Molecules

Nakajima, Masaya, Nagasawa, Sho, Matsumoto, Koki, Kuribara, Takahito, Muranaka, Atsuya, Uchiyama, Masanobu, Nemoto, Tetsuhiro

Journal:

Angewandte Chemie International Edition

Year:

2020

Language:

english

File:

PDF, 1.77 MB

english, 2020

88

Development of broken-symmetry (BS) methods in chemical reactions. A theoretical view of water oxidation in photosystem II and related systems

Yamaguchi, Kizashi, Isobe, Hiroshi, Shoji, Mitsuo, Miyagawa, Koichi, Yamanaka, Shusuke, Kawakami, Takashi, Nakajima, Takahito

Journal:

Journal of Photochemistry and Photobiology A: Chemistry

Year:

2020

File:

PDF, 4.79 MB

2020

89

Ab initio direct molecular dynamics study of the fragmentation of F(H2O) complex generated by photodetachment of F−(H2O) anion complex

Yasuyuki Ishikawa, Takahito Nakajima, Takeshi Yanai, Kimihiko Hirao

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 368 KB

english, 2002

90

Second-order perturbative approximation to the SAC/SAC-CI method

Takahito Nakajima, Hiroshi Nakatsuji

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 87 KB

english, 1999

91

The effects of concentrations of lysine in media on differentiation of 3T3-L1 preadipocytes

Takahito KYOYA, Aiko ISHIDA, Kazuki NAKASHIMA, Ikuyo NAKAJIMA, Atsushi TOYODA, Yutaka NAKAMURA, Masaya KATSUMATA

Journal:

Animal Science Journal

Year:

2011

Language:

english

File:

PDF, 550 KB

english, 2011

92

Research activities of the theoretical chemistry group at the University of Tokyo

Haruyuki Nakano, Takahito Nakajima, Takao Tsuneda, Kimihiko Hirao

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2001

Language:

english

File:

PDF, 481 KB

english, 2001

93

A Basic Germanodecatungstate with a −7 Charge: Efficient Chemoselective Acylation of Primary Alcohols

Sugahara, Kosei, Satake, Naoto, Kamata, Keigo, Nakajima, Takahito, Mizuno, Noritaka

Journal:

Angewandte Chemie

Year:

2014

Language:

english

File:

PDF, 489 KB

english, 2014

94

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

95

A theoretical study of transition metal hydroxides: CuOH, AgOH and AuOH

IKEDA, SHINJI, NAKAJIMA, TAKAHITO, HIRAO, KIMIHIKO

Journal:

Molecular Physics

Year:

2003

Language:

english

File:

PDF, 522 KB

english, 2003

96

A highly efficient algorithm for electron repulsion integrals over relativistic four-component Gaussian-type spinors

Yanai, Takeshi, Nakajima, Takahito, Ishikawa, Yasuyuki, Hirao, Kimihiko

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 319 KB

english, 2002

97

Third-order Douglas–Kroll ab initio model potential for actinide elements

Paulovič, Jozef, Nakajima, Takahito, Hirao, Kimihiko, Seijo, Luis

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 307 KB

english, 2002

98

Real-time monitoring of hemodynamic changes in tumor vessels during photoimmunotherapy using optical coherence tomography

Liang, Chia-Pin, Nakajima, Takahito, Watanabe, Rira, Sato, Kazuhide, Choyke, Peter L., Chen, Yu, Kobayashi, Hisataka

Journal:

Journal of Biomedical Optics

Year:

2014

Language:

english

File:

PDF, 2.90 MB

english, 2014

99

Two-Component Relativistic Equation-of-Motion Coupled-Cluster Methods for Excitation Energies and Ionization Potentials of Atoms and Molecules

Akinaga, Yoshinobu, Nakajima, Takahito

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 375 KB

english, 2017

100

A Simple Model for Relative Energies of All Fullerenes Reveals the Interplay between Intrinsic Resonance and Structural Deformation Effects in Medium-Sized Fullerenes

Chan, Bun, Kawashima, Yukio, Dawson, William, Katouda, Michio, Nakajima, Takahito, Hirao, Kimihiko

Journal:

Journal of Chemical Theory and Computation

Year:

2019

Language:

english

File:

PDF, 2.16 MB

english, 2019

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