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Sumita, Masato
121
results:
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Format
Online (121)
Mediatypes
Articles (Online) (85)
Bookchapter (Online) (2)
OpenAccess-fulltext (34)
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english (108)
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?
1
Theoretical Insight into the Origin of Dielectric and Magne..:
Sumita, Masato
;
Takahashi, Hisanao
;
Sugita, Tomoya
.
The Journal of Physical Chemistry C. 128 (2024) 3 - p. 1386-1392 , 2024
Link:
https://doi.org/10.1021/..
?
2
Koopmans' Theorem-Compliant Long-Range Corrected (KTLC) Den..:
Terayama, Kei
;
Osaki, Yamato
;
Fujita, Takehiro
...
Journal of Chemical Theory and Computation. , 2023
Link:
https://doi.org/10.1021/..
?
3
Revealing factors influencing polymer degradation with rank..:
Yuan, Weilin
;
Hibi, Yusuke
;
Tamura, Ryo
...
Patterns. 4 (2023) 12 - p. 100846 , 2023
Link:
https://doi.org/10.1016/..
?
4
ChemTSv2: Functional molecular design using de novo molecul..:
Ishida, Shoichi
;
Aasawat, Tanuj
;
Sumita, Masato
...
WIREs Computational Molecular Science. 13 (2023) 6 - p. , 2023
Link:
https://doi.org/10.1002/..
?
5
Anion−π Interactions in Monolayers Formed by Amphiphilic El..:
Akamatsu, Masaaki
;
Yamanaga, Koji
;
Tanaka, Kohei
...
Langmuir. , 2023
Link:
https://doi.org/10.1021/..
?
6
Interpretable Fragment‐Based Molecule Design with Self‐Lear..:
Li, Jiawen
;
Sumita, Masato
;
Tamura, Ryo
.
Advanced Intelligent Systems. 5 (2023) 10 - p. , 2023
Link:
https://doi.org/10.1002/..
?
7
Selective Detection of Toxic C1 Chemicals Using a Hydroxyla..:
Chahal, Mandeep K.
;
Sumita, Masato
;
Labuta, Jan
...
ACS Sensors. 8 (2023) 4 - p. 1585-1592 , 2023
Link:
https://doi.org/10.1021/..
?
8
A photo-induced colorimetric reaction of N,N'-bis[2-(trimet..:
Izawa, Hironori
;
Yasufuku, Fumika
;
Matsumoto, Tomoko
...
Tetrahedron Letters. 100 (2022) - p. 153860 , 2022
Link:
https://doi.org/10.1016/..
?
9
High reactivity of H2O vapor on GaN surfaces:
Sumiya, Masatomo
;
Sumita, Masato
;
Tsuda, Yasutaka
...
Science and Technology of Advanced Materials. 23 (2022) 1 - p. 189-198 , 2022
Link:
https://doi.org/10.1080/..
?
10
QCforever: A Quantum Chemistry Wrapper for Everyone to Use ..:
Sumita, Masato
;
Terayama, Kei
;
Tamura, Ryo
.
Journal of Chemical Information and Modeling. 62 (2022) 18 - p. 4427-4434 , 2022
Link:
https://doi.org/10.1021/..
?
11
Automatic Differentiation for the Direct Minimization Appro..:
Yoshikawa, Naruki
;
Sumita, Masato
The Journal of Physical Chemistry A. 126 (2022) 45 - p. 8487-8493 , 2022
Link:
https://doi.org/10.1021/..
?
12
Understanding the evolution of a de novo molecule generator..:
Fujita, Takehiro
;
Terayama, Kei
;
Sumita, Masato
...
Science and Technology of Advanced Materials. 23 (2022) 1 - p. 352-360 , 2022
Link:
https://doi.org/10.1080/..
?
13
Automatic Rietveld refinement by robotic process automation..:
Tamura, Ryo
;
Sumita, Masato
;
Terayama, Kei
...
Science and Technology of Advanced Materials: Methods. 2 (2022) 1 - p. 435-444 , 2022
Link:
https://doi.org/10.1080/..
?
14
Discovery of polymer electret material via de novo molecule..:
Zhang, Yucheng
;
Zhang, Jinzhe
;
Suzuki, Kuniko
...
Applied Physics Letters. 118 (2021) 22 - p. , 2021
Link:
https://doi.org/10.1063/..
?
15
Efficient Search for Energetically Favorable Molecular Conf..:
Terayama, Kei
;
Sumita, Masato
;
Katouda, Michio
..
Journal of Chemical Theory and Computation. 17 (2021) 8 - p. 5419-5427 , 2021
Link:
https://doi.org/10.1021/..
1-15