Yu-Ya Ohnishi : rechercher sur Z-Library

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1

Alternative formulation of explicitly correlated third-order Møller–Plesset perturbation theory

Ohnishi, Yu-ya, Ten-no, Seiichiro

Journal:

Molecular Physics

Année:

2013

Langue:

english

Fichier:

PDF, 337 KB

english, 2013

2

ChemInform Abstract: Theoretical and Computational Studies of Organometallic Reactions: Successful or Not?

Shigeyoshi Sakaki, Yu-Ya Ohnishi, Hirofumi Sato

Journal:

Année:

2011

Fichier:

PDF, 18 KB

2011

3

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

Année:

2011

Langue:

english

Fichier:

PDF, 349 KB

english, 2011

4

Theoretical and computational studies of organometallic reactions: successful or not?

Shigeyoshi Sakaki, Yu-Ya Ohnishi, Hirofumi Sato

Journal:

The Chemical Record

Année:

2010

Langue:

english

Fichier:

PDF, 924 KB

english, 2010

5

A single amino acid substitution in the S1 and S2 Spike protein domains determines the neutralization escape phenotype of SARS-CoV

Yu-ya Mitsuki, Kazuo Ohnishi, Hirotaka Takagi, Masamichi Oshima, Takuya Yamamoto, Fuminori Mizukoshi, Kazutaka Terahara, Kazuo Kobayashi, Naoki Yamamoto, Shoji Yamaoka, Yasuko Tsunetsugu-Yokota

Journal:

Microbes and Infection

Année:

2008

Langue:

english

Fichier:

PDF, 506 KB

english, 2008

6

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

Année:

2012

Langue:

english

Fichier:

PDF, 2.16 MB

english, 2012

7

Charge-consistent redefinition of Fock integrals

Yu-ya Ohnishi, So Hirata

Journal:

Chemical Physics

Année:

2012

Langue:

english

Fichier:

PDF, 279 KB

english, 2012

8

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

Année:

2009

Langue:

english

Fichier:

PDF, 643 KB

english, 2009

9

Extensivity of Energy and Electronic and Vibrational Structure Methods for Crystals

Hirata, So, Keçeli, Murat, Ohnishi, Yu-ya, Sode, Olaseni, Yagi, Kiyoshi

Journal:

Annual Review of Physical Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 390 KB

english, 2012

10

Frontier Orbital Consistent Quantum Capping Potential (FOC-QCP) for Bulky Ligand of Transition Metal Complexes

Ohnishi, Yu-ya, Nakao, Yoshihide, Sato, Hirofumi, Sakaki, Shigeyoshi

Journal:

Journal of Physical Chemistry A

Année:

2008

Langue:

english

Fichier:

PDF, 489 KB

english, 2008

11

Thermodynamic limit of the energy density in a crystal

Hirata, So, Ohnishi, Yu-ya

Journal:

Physical Chemistry Chemical Physics

Année:

2012

Langue:

english

Fichier:

PDF, 527 KB

english, 2012

12

A Theoretical Study of Nickel(0)-Catalyzed Phenylcyanation of Alkynes. Reaction Mechanism and Regioselectivity

Ohnishi, Yu-ya, Nakao, Yoshihide, Sato, Hirofumi, Nakao, Yoshiaki, Hiyama, Tamejiro, Sakaki, Shigeyoshi

Journal:

Organometallics

Année:

2009

Langue:

english

Fichier:

PDF, 3.65 MB

english, 2009

13

Ruthenium(II)-Catalyzed Hydrogenation of Carbon Dioxide to Formic Acid. Theoretical Study of Real Catalyst, Ligand Effects, and Solvation Effects

Ohnishi, Yu-ya, Matsunaga, Tadashi, Nakao, Yoshihide, Sato, Hirofumi, Sakaki, Shigeyoshi

Journal:

Journal of the American Chemical Society

Année:

2005

Langue:

english

Fichier:

PDF, 501 KB

english, 2005

14

Why Does Fluoride Anion Accelerate Transmetalation between Vinylsilane and Palladium(II)−Vinyl Complex? Theoretical Study

Sugiyama, Akihiro, Ohnishi, Yu-ya, Nakaoka, Mayu, Nakao, Yoshihide, Sato, Hirofumi, Sakaki, Shigeyoshi, Nakao, Yoshiaki, Hiyama, Tamejiro

Journal:

Journal of the American Chemical Society

Année:

2008

Langue:

english

Fichier:

PDF, 2.46 MB

english, 2008

15

Ruthenium(II)-Catalyzed Hydrogenation of Carbon Dioxide to Formic Acid. Theoretical Study of Significant Acceleration by Water Molecules

Ohnishi, Yu-ya, Nakao, Yoshihide, Sato, Hirofumi, Sakaki, Shigeyoshi

Journal:

Organometallics

Année:

2006

Langue:

english

Fichier:

PDF, 809 KB

english, 2006

16

Theoretical Study of Oxidative Additions of H 2 and MeCN to a Nickel(0) Complex: Significantly Large Correlation Effects and Characteristic Features of the Reaction

Ohnishi, Yu-ya, Nakao, Yoshihide, Sato, Hirofumi, Sakaki, Shigeyoshi

Journal:

Journal of Physical Chemistry A

Année:

2007

Langue:

english

Fichier:

PDF, 471 KB

english, 2007

17

Interaction Energy of Large Molecules from Restrained Denominator MP2-F12

Ohnishi, Yu-ya, Ishimura, Kazuya, Ten-no, Seiichiro

Journal:

Journal of Chemical Theory and Computation

Année:

2014

Langue:

english

Fichier:

PDF, 1023 KB

english, 2014

18

Massively parallel MP2-F12 calculations on the K computer

Ohnishi, Yu-ya, Ishimura, Kazuya, Ten-no, Seiichiro

Journal:

International Journal of Quantum Chemistry

Année:

2015

Langue:

english

Fichier:

PDF, 577 KB

english, 2015

19

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

Ohnishi, Yu-ya, Hirata, So

Journal:

The Journal of Chemical Physics

Année:

2010

Langue:

english

Fichier:

PDF, 139 KB

english, 2010

20

Hybrid coupled-cluster and perturbation method for extended systems of one-dimensional periodicity

Ohnishi, Yu-ya, Hirata, So

Journal:

The Journal of Chemical Physics

Année:

2011

Langue:

english

Fichier:

PDF, 242 KB

english, 2011

21

Explicitly correlated frequency-independent second-order green's function for accurate ionization energies

Ohnishi, Yu-ya, Ten-no, Seiichiro

Journal:

Journal of Computational Chemistry

Année:

2016

Langue:

english

Fichier:

PDF, 616 KB

english, 2016

22

Perspective: Explicitly correlated electronic structure theory for complex systems

Grüneis, Andreas, Hirata, So, Ohnishi, Yu-ya, Ten-no, Seiichiro

Journal:

The Journal of Chemical Physics

Année:

2017

Langue:

english

Fichier:

PDF, 3.04 MB

english, 2017