E-LIB Suche - Ergebnisse für: Ishimura, Kazuya

1

Chemical Heat Storage Mechanism in Alkaline Earth Metal Oxi..:

Ishida, Toyokazu ; Ishimura, Kazuya
The Journal of Physical Chemistry C. 128 (2024) 18 - p. 7397-7407 , 2024

Link: https://doi.org/10.1021/..

2

σ-Delocalization between Non-bonded Selenium Atoms on Multi..:

Saito, Masaichi ; Suzuki, Takumi ; Takahashi, Koki...
Chemistry Letters. 52 (2023) 2 - p. 97-99 , 2023

Link: https://doi.org/10.1246/..

3

A new strategy for hyperconjugative antiaromatic compounds ..:

Ito, Shotaro ; Ishii, Youichi ; Ishimura, Kazuya.
Chemical Communications. 57 (2021) 86 - p. 11330-11333 , 2021

Link: https://doi.org/10.1039/..

4

Theoretical analysis of the kinetic isotope effect on carbo..:

Jiang, Tianlong ; Moriwaki, Kenta ; Kobayashi, Osamu...
Journal of Computational Chemistry. 41 (2020) 11 - p. 1116-1123 , 2020

Link: https://doi.org/10.1002/..

5

SALMON: Scalable Ab-initio Light–Matter simulator for Optic..:

Noda, Masashi ; Sato, Shunsuke A. ; Hirokawa, Yuta...
Computer Physics Communications. 235 (2019) - p. 356-365 , 2019

Link: https://doi.org/10.1016/..

6

Large-Scale Quantum Chemical Calculation:

, In: The Art of High Performance Computing for Computational Science, Vol. 2,

Ishimura, Kazuya ; Kobayashi, Masato - p. 159-201 , 2019

Link: https://doi.org/10.1007/..

7

Reaction Behavior of the NO Molecule on the Surface of an M..:

Takagi, Nozomi ; Ishimura, Kazuya ; Fukuda, Ryoichi..
The Journal of Physical Chemistry A. 123 (2019) 32 - p. 7021-7033 , 2019

Link: https://doi.org/10.1021/..

8

Electronic processes in NO dimerization on Ag and Cu cluste..:

Takagi, Nozomi ; Nakagaki, Masayuki ; Ishimura, Kazuya...
Journal of Computational Chemistry. 40 (2018) 1 - p. 181-190 , 2018

Link: https://doi.org/10.1002/..

9

First-Order Interacting Space Approach to Excited-State Mol..:

Yanai, Kazuma ; Ishimura, Kazuya ; Nakayama, Akira.
Journal of Chemical Theory and Computation. 14 (2018) 7 - p. 3643-3655 , 2018

Link: https://doi.org/10.1021/..

10

Double aromaticity arising from σ- and π-rings:

Furukawa, Shunsuke ; Fujita, Masahiro ; Kanatomi, Yoshihiko...
Communications Chemistry. 1 (2018) 1 - p. , 2018

Link: https://doi.org/10.1038/..

11

Theoretical Insight into Core–Shell Preference for Bimetall..:

Lu, Jing ; Ishimura, Kazuya ; Sakaki, Shigeyoshi
The Journal of Physical Chemistry C. 122 (2018) 16 - p. 9081-9090 , 2018

Link: https://doi.org/10.1021/..

12

Core–Shell versus Other Structures in Binary Cu38–nMn Nanoc..:

Takagi, Nozomi ; Ishimura, Kazuya ; Matsui, Masafuyu...
The Journal of Physical Chemistry C. 121 (2017) 19 - p. 10514-10528 , 2017

Link: https://doi.org/10.1021/..

13

Electronic Polarization Effect of the Water Environment in ..:

Yanai, Kazuma ; Ishimura, Kazuya ; Nakayama, Akira...
The Journal of Physical Chemistry A. 120 (2016) 51 - p. 10273-10280 , 2016

Link: https://doi.org/10.1021/..

14

On the hierarchical parallelization of ab initio simulation:

Ruiz-Barragan, Sergi ; Ishimura, Kazuya ; Shiga, Motoyuki
Chemical Physics Letters. 646 (2016) - p. 130-135 , 2016

Link: https://doi.org/10.1016/..

15

How Can We Understand Au8 Cores and Entangled Ligands of Se..:

Takagi, Nozomi ; Ishimura, Kazuya ; Matsui, Masafuyu...
Journal of the American Chemical Society. 137 (2015) 26 - p. 8593-8602 , 2015

Link: https://doi.org/10.1021/..