Jun-Ya Hasegawa: search on Z-Library

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1

Catalytic Cyclopropanation by Myoglobin Reconstituted with Iron Porphycene: Acceleration of Catalysis due to Rapid Formation of the Carbene Species

Oohora, Koji, Meichin, Hiroyuki, Zhao, Liming, Wolf, Matthew W., Nakayama, Akira, Hasegawa, Jun-ya, Lehnert, Nicolai, Hayashi, Takashi

Journal:

Journal of the American Chemical Society

Year:

2017

Language:

english

File:

PDF, 573 KB

english, 2017

2

Mechanism of Multiatomic Step Formation during Metalorganic Chemical Vapor deposition Growth of GaAs on (001) Vicinal Surface Studied by Atomic Force Microscopy

Ishizaki, Jun-ya, Goto, Shu, Kishida, Motoya, Fukui, Takashi, Hasegawa, Hideki

Journal:

Japanese Journal of Applied Physics

Year:

1994

File:

PDF, 1.61 MB

1994

3

Synergy of Vicinal Oxygenated Groups of Catalysts for Hydrolysis of Cellulosic Molecules

Kobayashi, Hirokazu, Yabushita, Mizuho, Hasegawa, Jun-ya, Fukuoka, Atsushi

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 1.26 MB

english, 2015

4

CuCl/TMEDA/nor-AZADO-catalyzed aerobic oxidative acylation of amides with alcohols to produce imides

Kataoka, Kengo, Wachi, Keiju, Jin, Xiongjie, Suzuki, Kosuke, Sasano, Yusuke, Iwabuchi, Yoshiharu, Hasegawa, Jun-ya, Mizuno, Noritaka, Yamaguchi, Kazuya

Journal:

Chemical Science

Year:

2018

Language:

english

File:

PDF, 680 KB

english, 2018

5

Roles of Salicylate Donors in Enhancement of Productivity and Isotacticity of ZieglerâNatta Catalyzed Propylene Polymerization

Ratanasak, Manussada, Hasegawa, Jun-ya, Parasuk, Vudhichai

Journal:

Year:

2020

File:

PDF, 1.89 MB

2020

6

ChemInform Abstract: Radical Cations of Perinaphthocyclopropanes. Conditions for the Observation of 1,3-Perinaphthadiyl Radical Cations.

Thomas Bally, Zhendong Zhu, Jakob Wirz, Markus Fuelscher, Jun-Ya Hasegawa

Journal:

Year:

2001

Language:

english

File:

PDF, 30 KB

english, 2001

7

ChemInform Abstract: Circular Dichroism and Absorption Spectroscopy for Three-Membered Ring Compounds Using Symmetry-Adapted Cluster-Configuration Interaction (SAC-CI) Method

Tomoo Miyahara, Jun-ya Hasegawa, Hiroshi Nakatsuji

Journal:

Year:

2010

File:

PDF, 12 KB

2010

8

Color Tuning in Photofunctional Proteins

Jun-ya Hasegawa, Kazuhiro J. Fujimoto, Hiroshi Nakatsuji

Journal:

Year:

2011

Language:

english

File:

PDF, 1.21 MB

english, 2011

9

Electronic excitations of the green fluorescent protein chromophore in its protonation states: SAC/SAC-CI study

Abhijit K. Das, Jun-Ya Hasegawa, Tomoo Miyahara, Masahiro Ehara, Hiroshi Nakatsuji

Journal:

Journal of Computational Chemistry

Year:

2003

Language:

english

File:

PDF, 163 KB

english, 2003

10

On the reversible O2 binding of the Fe–porphyrin complex

Hiroyuki Nakashima, Jun-Ya Hasegawa, Hiroshi Nakatsuji

Journal:

Journal of Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 250 KB

english, 2006

11

On the O2 binding of Fe–porphyrin, Fe–porphycene, and Fe–corrphycene complexes

Hiroyuki Nakashima, Jun-ya Hasegawa, Hiroshi Nakatsuji

Journal:

Journal of Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 337 KB

english, 2006

12

Excited states of GFP chromophore and active site studied by the SAC-CI method: Effect of protein-environment and mutations

Jun-Ya Hasegawa, Kazuhiro Fujimoto, Ben Swerts, Tomoo Miyahara, Hiroshi Nakatsuji

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 441 KB

english, 2007

13

A multicore QM/MM approach for the geometry optimization of chromophore aggregate in protein

Yasuomi Kiyota, Jun-Ya Hasegawa, Kazuhiro Fujimoto, Ben Swerts, Hiroshi Nakatsuji

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 821 KB

english, 2009

14

SAC-CI study of the excited states of free base tetrazaporphin

Kazuo Toyota, Jun-ya Hasegawa, Hiroshi Nakatsuji

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 456 KB

english, 1996

15

Formation and photoluminescence characterization of quantum well wires using multiatomic steps grown by metalorganic vapor phase epitaxy

Shinjiroh Hara, Jun-ya Ishizaki, Junichi Motohisa, Takashi Fukui, Hideki Hasegawa

Journal:

Journal of Crystal Growth

Year:

1994

Language:

english

File:

PDF, 511 KB

english, 1994

16

Mechanism of color tuning in retinal protein: SAC-CI and QM/MM study

Kazuhiro Fujimoto, Jun-ya Hasegawa, Shigehiko Hayashi, Shigeki Kato, Hiroshi Nakatsuji

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 344 KB

english, 2005

17

Structure of phytochromobilin in the Pr and Pfr forms: SAC-CI theoretical study

Jun-ya Hasegawa, Mitsuyoshi Isshiki, Kazuhiro Fujimoto, Hiroshi Nakatsuji

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 205 KB

english, 2005

18

Electronic circular dichroism spectrum of uridine studied by the SAC–CI method

Sareeya Bureekaew, Jun-ya Hasegawa, Hiroshi Nakatsuji

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 232 KB

english, 2006

19

On the color-tuning mechanism of Human-Blue visual pigment: SAC-CI and QM/MM study

Kazuhiro Fujimoto, Jun-ya Hasegawa, Shigehiko Hayashi, Hiroshi Nakatsuji

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 346 KB

english, 2006

20

Origin of color tuning in human red, green, and blue cone pigments: SAC-CI and QM/MM study

Kazuhiro Fujimoto, Jun-ya Hasegawa, Hiroshi Nakatsuji

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 302 KB

english, 2008

21

Artificial color tuning of firefly luminescence: Theoretical mutation by tuning electrostatic interactions between protein and luciferin

Naoki Nakatani, Jun-ya Hasegawa, Hiroshi Nakatsuji

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 369 KB

english, 2009

22

Generalizing the bra state in the symmetry-adapted cluster singles and doubles method and the second-order perturbation correction

Jun-ya Hasegawa, Akihiro Obata, Kenji Matsuda

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 332 KB

english, 2010

23

Chemical-intuition based LMO transformation simplifies excited-state wave functions of peptides

Jun-ya Hasegawa, Tsutomu Kawatsu, Kazuo Toyota, Kenji Matsuda

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 854 KB

english, 2011

24

SAC-CI theoretical study on the excited states of lumiflavin: Structure, excitation spectrum, and solvation effect

Jun-ya Hasegawa, Sareeya Bureekaew, Hiroshi Nakatsuji

Journal:

Journal of Photochemistry and Photobiology A: Chemistry

Year:

2007

Language:

english

File:

PDF, 555 KB

english, 2007

25

Photocyclization of 2,4,6-triethylbenzophenones in the solid state

Yoshikatsu Ito, Hiroki Takahashi, Jun-ya Hasegawa, Nicholas J. Turro

Journal:

Year:

2009

Language:

english

File:

PDF, 927 KB

english, 2009

26

Ground state structure of CuO2: a CASPT2 study

Jun-ya Hasegawa, Kristine Pierloot, Björn O Roos

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 90 KB

english, 2001

27

The highly syn-selective Michael reaction of enamines with 2-(1-alkenyl)-1,3-dioxolan-2-ylium cations generated from 2,2-dimethoxyethyl 2-alkenoates in situ

Shigeru Machida, Yukihiko Hashimoto, Kazuhiko Saigo, Jun-ya Inoue, Masaki Hasegawa

Journal:

Year:

1991

Language:

english

File:

PDF, 1.01 MB

english, 1991

28

Kinetic investigation on carbamate formation from the reaction of carbon dioxide with amino acids in homogeneous aqueous solution

Yuki Yamamoto, Jun-ya Hasegawa, Yoshikatsu Ito

Journal:

Journal of Physical Organic Chemistry

Year:

2012

Language:

english

File:

PDF, 905 KB

english, 2012

29

Theoretical study of the excited states and the redox potentials of unusually distorted β-trifluoromethylporphycene

Jun-ya Hasegawa, Kenji Matsuda

Journal:

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

Year:

2011

Language:

english

File:

PDF, 440 KB

english, 2011

30

The application of phenylmethanethiol and benzenethiol derivatives as odorless organosulfur reagents in the synthesis of thiosugars and thioglycosides

Jun-ya Hasegawa, Masahiro Hamada, Tetsuo Miyamoto, Kiyoharu Nishide, Tetsuya Kajimoto, Jun-ichi Uenishi, Manabu Node

Journal:

Carbohydrate Research

Year:

2005

Language:

english

File:

PDF, 187 KB

english, 2005

31

Excited and ionized states of ozone studied by the MEG (multi-exponentially generated)/EX (excited)-MEG method

Yuhki Ohtsuka, Jun-ya Hasegawa, Hiroshi Nakatsuji

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 214 KB

english, 2007

32

Singlet Excitation Energy Transfer Mediated by Local Exciton Bridges

Kawatsu, Tsutomu, Matsuda, Kenji, Hasegawa, Jun-ya

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 2.96 MB

english, 2012

33

Chronological Change from Face-On to Edge-On Ordering of Zinc–Tetraphenylporphyrin at the Phenyloctane–Highly Oriented Pyrolytic Graphite Interface

Takeshi Sakano, Dr. Jun-ya Hasegawa, Dr. Kenji Higashiguchi, Prof. Kenji Matsuda

Journal:

Chemistry – An Asian Journal

Year:

2012

Language:

english

File:

PDF, 2.74 MB

english, 2012

34

Excitation energy transfer in GFP-X-CFP model peptides (X = amino acids): Direct Versus through-bridge energy transfers

Tsutomu Kawatsu, Jun-ya Hasegawa

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 894 KB

english, 2012

35

Theoretical study of the excited states of the photosynthetic reaction center in photosystem II: Electronic structure, interactions, and their origin

Yuya Kitagawa, Kenji Matsuda, Jun-ya Hasegawa

Journal:

Biophysical Chemistry

Year:

2011

Language:

english

File:

PDF, 2.00 MB

english, 2011

36

A Configuration Interaction Picture for a Molecular Environment Using Localized Molecular Orbitals: The Excited States of Retinal Proteins

Hasegawa, Jun-ya, Fujimoto, Kazuhiro J., Kawatsu, Tsutomu

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 3.38 MB

english, 2012

37

Red Light in Chemiluminescence and Yellow-Green Light in Bioluminescence: Color-Tuning Mechanism of Firefly, Photinus pyralis , Studied by the Symmetry-Adapted Cluster−Configuration Interaction Method

Nakatani, Naoki, Hasegawa, Jun-ya, Nakatsuji, Hiroshi

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 489 KB

english, 2007

38

Theoretical investigation of the β value of the phenylene and phenylene ethynylene units by evaluating exchange interaction between organic radicals

Nishizawa, Shohei, Hasegawa, Jun-ya, Matsuda, Kenji

Journal:

Chemical Physics Letters

Year:

2013

Language:

english

File:

PDF, 401 KB

english, 2013

39

Excited States of Fluorescent Proteins, mKO and DsRed: Chromophore−Protein Electrostatic Interaction Behind the Color Variations

Hasegawa, Jun-ya, Ise, Takehiko, Fujimoto, Kazuhiro J., Kikuchi, Akihiro, Fukumura, Eiko, Miyawaki, Atsushi, Shiro, Yoshitsugu

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 3.29 MB

english, 2010

40

Theoretical study of the opsin shift of deprotonated retinal schiff base in the M state of bacteriorhodopsin

Fujimoto, Kazuhiro J., Asai, Kota, Hasegawa, Jun-ya

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.97 MB

english, 2010

41

Excited States of Free Base Phthalocyanine Studied by the SAC-CI Method

Toyota, Kazuo, Hasegawa, Jun-ya, Nakatsuji, Hiroshi

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 254 KB

english, 1997

42

Excited States of Porphyrin Isomers and Porphycene Derivatives: A SAC-CI Study

Hasegawa, Jun-ya, Takata, Koji, Miyahara, Tomoo, Neya, Saburo, Frisch, Michael J., Nakatsuji, Hiroshi

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 338 KB

english, 2005

43

Theoretical Investigation of the β Value of the π-Conjugated Molecular Wires by Evaluating Exchange Interaction between Organic Radicals

Nishizawa, Shohei, Hasegawa, Jun-ya, Matsuda, Kenji

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 408 KB

english, 2013

44

Fragment-based configuration interaction wave function to calculate environmental effect on excited states in proteins and solutions

Hasegawa, Jun-ya

Journal:

Chemical Physics Letters

Year:

2013

Language:

english

File:

PDF, 1.62 MB

english, 2013

45

Molecular Trench: Highly Complementary Binding Sites for Tartaric Acid Dialkyl Ester

Kuroda, Yasuhisa, Kato, Yusuke, Ito, Mitsuru, Hasegawa, Jun-ya, Ogoshi, Hisanobu

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 267 KB

english, 1994

46

Energetics of the Electron Transfer from Bacteriopheophytin to Ubiquinone in the Photosynthetic Reaction Center of Rhodopseudomonas Viridis : Theoretical Study

Hasegawa, Jun-ya, Ishida, Mayumi, Nakatsuji, Hiroshi, Lu, Zhenyu, Liu, Haiyan, Yang, Weitao

Journal:

Journal of Physical Chemistry B

Year:

2003

Language:

english

File:

PDF, 309 KB

english, 2003

47

Investigation on CD Inversion at Visible Region Caused by a Tilt of the π-Conjugated Substituent: Theoretical and Experimental Approaches by Using an Asymmetric Framework of Diarylethene Annulated Isomer

Hirose, Takashi, Inoue, Yuki, Hasegawa, Jun-ya, Higashiguchi, Kenji, Matsuda, Kenji

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 3.04 MB

english, 2014

48

Bifunctional Porphyrin Catalysts for the Synthesis of Cyclic Carbonates from Epoxides and CO 2 : Structural Optimization and Mechanistic Study

Ema, Tadashi, Miyazaki, Yuki, Shimonishi, Junta, Maeda, Chihiro, Hasegawa, Jun-ya

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 2.51 MB

english, 2014

49

Charge-Polarized Coordination Space for H 2 Adsorption

Hasegawa, Jun-ya, Higuchi, Masakazu, Hijikata, Yuh, Kitagawa, Susumu

Journal:

Chemistry of Materials

Year:

2009

Language:

english

File:

PDF, 1.12 MB

english, 2009

50

Theoretical Studies on the Color-Tuning Mechanism in Retinal Proteins

Fujimoto, Kazuhiro, Hayashi, Shigehiko, Hasegawa, Jun-ya, Nakatsuji, Hiroshi

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 296 KB

english, 2007

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