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1

Comparative Study of the Antioxidative Activity of Culinary Herbs and Spices, and Hepatoprotective Effects of Three Selected Lamiaceae Plants on Carbon Tetrachloride-Induced Oxidative Stress in Rats

Masuda, Hideki, Hironaka, So, Matsui, Yoko, Hirooka, Saori, Hirai, Mami, Hirata, Yushi, Akao, Makoto, Kumagai, Hitomi

Journal:

Food Science and Technology Research

Year:

2015

Language:

english

File:

PDF, 1.15 MB

english, 2015

2

Automated derivation and parallel computer implementation of renormalized and active-space coupled-cluster methods

Piotr Piecuch, So Hirata, Karol Kowalski, Peng-Dong Fan, Theresa L. Windus

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 320 KB

english, 2006

3

Grid-based numerical Hartree-Fock solutions of polyatomic molecules

Shiozaki, Toru, Hirata, So

Journal:

Physical Review A

Year:

2007

Language:

english

File:

PDF, 99 KB

english, 2007

4

First-principles theories for anharmonic lattice vibrations

Hirata, So, Keçeli, Murat, Yagi, Kiyoshi

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 498 KB

english, 2010

5

Fragment and localized orbital methods in electronic structure theory

Beran, Gregory J. O., Hirata, So

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.40 MB

english, 2012

6

Fast electron correlation methods for molecular clusters in the ground and excited states

Hirata †, So, Valiev, Marat, Dupuis, Michel, Xantheas, Sotiris S., Sugiki, Shinichiro, Sekino, Hideo

Journal:

Molecular Physics

Year:

2005

Language:

english

File:

PDF, 275 KB

english, 2005

7

Convergence Acceleration of Parallel Monte Carlo Second-Order Many-Body Perturbation Calculations Using Redundant Walkers

Willow, Soohaeng Yoo, Hermes, Matthew R., Kim, Kwang S., Hirata, So

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 897 KB

english, 2013

8

Bridging quantum chemistry and solid-state physics

Journal:

Molecular Physics

Year:

2010

Language:

english

File:

PDF, 187 KB

english, 2010

9

Stochastic many-body perturbation theory for anharmonic molecular vibrations

Hermes, Matthew R., Hirata, So

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 833 KB

english, 2014

10

Exact Exchange Treatment for Molecules in Finite-Basis-Set Kohn-Sham Theory

Ivanov, Stanislav, Hirata, So, Bartlett, Rodney J.

Journal:

Physical Review Letters

Year:

1999

Language:

english

File:

PDF, 72 KB

english, 1999

11

The analytical energy gradient scheme in the Gaussian based Hartree–Fock and density functional theory for two-dimensional systems using the fast multipole method

Tobita, Motoi, Hirata, So, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 867 KB

english, 2003

12

General-Order Many-Body Green’s Function Method

Hirata, So, Hermes, Matthew R., Simons, Jack, Ortiz, J. V.

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 573 KB

english, 2015

13

Diagrammatic theories of anharmonic molecular vibrations

Hermes, Matthew R., Hirata, So

Journal:

International Reviews in Physical Chemistry

Year:

2015

Language:

english

File:

PDF, 687 KB

english, 2015

14

Numerical solution of the Sinanoǧlu equation using a multicentre radial-angular grid

Hirata, So, Shiozaki, Toru, Johnson, Cole M., Talman, James D.

Journal:

Molecular Physics

Year:

2016

Language:

english

File:

PDF, 1.06 MB

english, 2016

15

Ice Ih anomalies: Thermal contraction, anomalous volume isotope effect, and pressure-induced amorphization

Salim, Michael A., Willow, Soohaeng Yoo, Hirata, So

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.24 MB

english, 2016

16

One-particle many-body Green’s function theory: Algebraic recursive definitions, linked-diagram theorem, irreducible-diagram theorem, and general-order algorithms

Hirata, So, Doran, Alexander E., Knowles, Peter J., Ortiz, J. V.

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.43 MB

english, 2017

17

Monte Carlo explicitly correlated many-body Green’s function theory

Johnson, Cole M., Doran, Alexander E., Ten-no, Seiichiro L., Hirata, So

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.24 MB

english, 2018

18

Dietary coconut oil ameliorates skin contact hypersensitivity through mead acid production in mice

Tiwari, Prabha, Nagatake, Takahiro, Hirata, So-ichiro, Sawane, Kento, Saika, Azusa, Shibata, Yuki, Morimoto, Sakiko, Honda, Tetsuya, Adachi, Jun, Abe, Yuichi, Isoyama, Junko, Tomonaga, Takeshi, Kiyono

Journal:

Year:

2019

Language:

english

File:

PDF, 565 KB

english, 2019

19

Low preoperative maximum squeezing pressure evaluated by anorectal manometry is a risk factor for non-reversal of diverting stoma

Fukui, Risa, Nozawa, Hiroaki, Hirata, Yugo, Kawai, Kazushige, Hata, Keisuke, Tanaka, Toshiaki, Nishikawa, Takeshi, Shuno, Yasutaka, Sasaki, Kazuhito, Kaneko, Manabu, Murono, Koji, Emoto, Shigenobu, So

Journal:

Langenbeck's Archives of Surgery

Year:

2020

File:

PDF, 390 KB

2020

20

First-Principles Quantum Calculations on the Infrared Spectrum and Vibrational Dynamics of the Guanine-Cytosine Base Pair

Kiyoshi Yagi, Hideyuki Karasawa, So Hirata, Kimihiko Hirao

Journal:

Year:

2009

Language:

english

File:

PDF, 194 KB

english, 2009

21

Inelastic neutron scattering from trans-polyacetylene

So Hirata, Hajime Torii, Yukio Furukawa, Mitsuo Tasumi, John Tomkinson

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 333 KB

english, 1996

22

Predictive electronic and vibrational many-body methods for molecules and macromolecules

So Hirata, Kiyoshi Yagi

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 305 KB

english, 2008

23

High-order determinantal equation-of-motion coupled-cluster calculations for electronic excited states

So Hirata, Marcel Nooijen, Rodney J. Bartlett

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 89 KB

english, 2000

24

High-order determinantal equation-of-motion coupled-cluster calculations for ionized and electron-attached states

So Hirata, Marcel Nooijen, Rodney J. Bartlett

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 113 KB

english, 2000

25

Highly accurate treatment of electron correlation in polymers: coupled-cluster and many-body perturbation theories

So Hirata, Ireneusz Grabowski, Motoi Tobita, Rodney J. Bartlett

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 96 KB

english, 2001

26

Time-dependent density functional theory within the Tamm–Dancoff approximation

So Hirata, Martin Head-Gordon

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 90 KB

english, 1999

27

Tolerogenic activity of polyethylene glycol-conjugated lysozyme distinct from that of the native counterpart

ITO, SO, HIRATA, KOGA, UEDA, IMOTO

Journal:

Year:

1998

Language:

english

File:

PDF, 481 KB

english, 1998

28

Contribution of conformational stability of hen lysozyme to induction of type 2 T-helper immune responses

Takanori So, Hiro-O. Ito, Masato Hirata, Tadashi Ueda, Taiji Imoto

Journal:

Year:

2001

Language:

english

File:

PDF, 313 KB

english, 2001

29

Conjugated polymers for pure UV light emission: Poly(meta-phenylenes)

Dinesh G. “Dan” Patel, Yu-ya Ohnishi, Yixing Yang, Sang-Hyun Eom, Richard T. Farley, Kenneth R. Graham, Jiangeng Xue, So Hirata, Kirk S. Schanze, John R. Reynolds

Journal:

Journal of Polymer Science Part B: Polymer Physics

Year:

2011

Language:

english

File:

PDF, 349 KB

english, 2011

30

Coupled-cluster and many-body perturbation study of energies, structures, and phonon dispersions of solid hydrogen fluoride

Olaseni Sode, Murat Keçeli, So Hirata, Kiyoshi Yagi

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 203 KB

english, 2009

31

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

32

Symbolic Algebra in Quantum Chemistry

Journal:

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

Year:

2006

Language:

english

File:

PDF, 432 KB

english, 2006

33

Making More Extensive Use of the Coupled-cluster Wave Function: from the Standard Energy Expression to the Energy Expectation Value

Leszek Meissner, So Hirata, Rodney J. Bartlett

Journal:

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

Year:

2006

Language:

english

File:

PDF, 174 KB

english, 2006

34

Multiresolution potential energy surfaces for vibrational state calculations

Kiyoshi Yagi, So Hirata, Kimihiko Hirao

Journal:

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

Year:

2007

Language:

english

File:

PDF, 266 KB

english, 2007

35

Thermodynamic limit and size-consistent design

Journal:

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

Year:

2011

Language:

english

File:

PDF, 1.12 MB

english, 2011

36

Electronic structure theory: present and future challenges

Journal:

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

Year:

2012

Language:

english

File:

PDF, 217 KB

english, 2012

37

High-order coupled-cluster calculations through connected octuple excitations

So Hirata, Rodney J. Bartlett

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 110 KB

english, 2000

38

Time-dependent density functional theory for radicals: An improved description of excited states with substantial double excitation character

So Hirata, Martin Head-Gordon

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 82 KB

english, 1999

39

It Takes More Than an Imine: The Role of the Central Atom on the Electron-Accepting Ability of Benzotriazole and Benzothiadiazole Oligomers

Patel, Dinesh G. (Dan), Feng, Fude, Ohnishi, Yu-ya, Abboud, Khalil A., Hirata, So, Schanze, Kirk S., Reynolds, John R.

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 2.16 MB

english, 2012

40

Explicitly correlated combined coupled-cluster and perturbation methods

Shiozaki, Toru, Valeev, Edward F., Hirata, So

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 465 KB

english, 2009

41

Extended blood half-life of monomethoxypolyethylene glycol-conjugated hen lysozyme is a key parameter controlling immunological tolerogenicity

So, T., Ito, H.-O., Hirata, M., Ueda, T., Imoto, T.

Journal:

Cellular and Molecular Life Sciences

Year:

1999

Language:

english

File:

PDF, 170 KB

english, 1999

42

Charge-consistent redefinition of Fock integrals

Yu-ya Ohnishi, So Hirata

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 279 KB

english, 2012

43

Analytical second derivatives in ab initio Hartree–Fock crystal orbital theory of polymers

So Hirata, Suehiro Iwata

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 168 KB

english, 1998

44

Higher-order equation-of-motion coupled-cluster methods

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 338 KB

english, 2004

45

Excitation Energies from Time-Dependent Density Functional Theory for Linear Polyene Oligomers: Butadiene to Decapentaene

Hsu, Chao-Ping, Hirata, So, Head-Gordon, Martin

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 144 KB

english, 2001

46

On the Validity of the Born−Oppenheimer Separation and the Accuracy of Diagonal Corrections in Anharmonic Molecular Vibrations†

Hirata, So, Miller, Edward B., Ohnishi, Yu-ya, Yagi, Kiyoshi

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 643 KB

english, 2009

47

Immunodominance of conformation-dependent B-cell epitopes of protein antigens

Hiro-O Ito, Toshihiro Nakashima, Takanori So, Masato Hirata, Masakazu Inoue

Journal:

Biochemical and Biophysical Research Communications

Year:

2003

Language:

english

File:

PDF, 388 KB

english, 2003

48

Configuration interaction singles, time-dependent Hartree–Fock, and time-dependent density functional theory for the electronic excited states of extended systems

Hirata, So, Head-Gordon, Martin, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 363 KB

english, 1999

49

Time-dependent density functional study on the electronic excitation energies of polycyclic aromatic hydrocarbon radical cations of naphthalene, anthracene, pyrene, and perylene

Hirata, So, Lee, Timothy J., Head-Gordon, Martin

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 304 KB

english, 1999

50

Quantum chemistry of macromolecules and solids

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.81 MB

english, 2009