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K

Koichi Yamashita

university of tokyo

51H指数
578论文数
1.2W被引数
收录论文 160
发表时间
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Halogen Bonds or Not? Reassessing Noncovalent Interactions in Crystals of Periodate Anion from the Cambridge Structural Database卤素键还是其他？重新评估剑桥结构数据库中高碘酸根离子晶体的非共价相互作用
errMolecules
IF4.6
err2026-06-18
err0
errOAAI
errArpita Varadwaj; Pradeep R. Varadwaj; Helder M. Marques; Ireneusz Grabowski; Koichi Yamashita; Mohd. Mudassir Husain
err分享
err收藏
Molecular Electrostatic Surface Potential: A Predictive Framework for Noncovalent Interactions and Adsorption Characteristics in Molecular Entities分子静电势表面：预测分子实体中非共价相互作用和吸附特性的框架
errInternational Journal of Molecular Sciences
IF4.9
err2026-04-08
err0
errOAAI
errPradeep R. Varadwaj; Helder M. Marques; Arpita Varadwaj; Ireneusz Grabowski; Koichi Yamashita
err分享
err收藏
Optimizing external quantum efficiency in photocatalysts via first-principles optics and carrier transport modeling通过第一性原理光学和载流子输运建模优化光催化剂的外量子效率
errJ. Mater. Chem. A
IF0
err2025-12-24
err0
PREAI
errMasanori Kaneko; Hiroaki Yoshida; Koichi Yamashita; Kazunari Domen; Kazuhiko Seki
err分享
err收藏
Machine learning analysis of band gap difference between HSE and PBE functionals in double perovskitesHSE与PBE泛函在双钙钛矿中带隙差异的机器学习分析
errChemical Physics Letters
IF3.1
err2025-11-03
err0
PREAI
errSaho Kobayashi-Kajikawa; Miho Akasaka; Masanori Kaneko; Koichi Yamashita; Azusa Muraoka
err分享
err收藏
Low-Energy Defects and Oxidative Stability in Sn and Sn/Ge Perovskites from First-Principles Calculations低能缺陷和氧化稳定性：基于第一性原理计算的Sn和Sn/Ge钙钛矿研究
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2025-09-01
err0
PREAI
errOtake, Mai; Omori, Suzune; Kaneko, Masanori; Palummo, Maurizia; Giorgi, Giacomo; Yamashita, Koichi; Muraoka, Azusa
err分享
err收藏
A theoretical study of the molecular passivation of p-/n-type defects on tin- and germanium-mixed perovskite surfaces using Lewis base/acid使用路易斯碱/酸对锡和锗混合钙钛矿表面p-/n型缺陷进行分子钝化的理论研究
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2025-01-01
err1
errOAAI
errKino, Emi; Takagi, Makito; Naito, Takumi; Tachikawa, Masanori; Yamashita, Koichi; Shimazaki, Tomomi
err分享
err收藏
π-Hole Halogen Bonds Are Sister Interactions to σ-Hole Halogen Bonds
errCRYSTAL GROWTH & DESIGN
IF3.4
err2024-09-09
err1
PREAI
errVaradwaj, Pradeep R.; Marques, Helder M.; Varadwaj, Arpita; Yamashita, Koichi
err分享
err收藏
Definition of the Halogen Bond (IUPAC Recommendations 2013): A Revisit
errCRYSTAL GROWTH & DESIGN
IF3.4
err2024-06-24
err9
PREAI
errVaradwaj, Pradeep R.; Varadwaj, Arpita; Marques, Helder M.; Yamashita, Koichi
err分享
err收藏
Interaction support systems between teachers and visual content for effortless creation of program visualization
errRESEARCH AND PRACTICE IN TECHNOLOGY ENHANCED LEARNING
IF3
err2023-01-02
err0
errOAAI
errYamashita, Koichi; Suzuki, Miyu; Kito, Yusuke; Suzuki, Yusuke; Kogure, Satoru; Noguchi, Yasuhiro; Yamamoto, Raiya; Konishi, Tatsuhiro; Itoh, Yukihiro
err分享
err收藏
Neural network to predict 23Na NMR spectra of Na clusters
errJOURNAL OF MATERIALS INFORMATICS
IF5.6
err2023-01-01
err3
errOAAI
errKaneko, Masanori; Suzaki, Ayane; Muraoka, Azusa; Gotoh, Kazuma; Yamashita, Koichi
err分享
err收藏
Definition of the Pnictogen Bond: A PerspectivePnictogen债券的定义: 一个视角
errINORGANICS
IF3
err2022-09-21
err36
errOAAI
errVaradwaj, Arpita; Varadwaj, Pradeep R.; Marques, Helder M.; Yamashita, Koichi
err分享
err收藏
The Pnictogen Bond: The Covalently Bound Arsenic Atom in Molecular Entities in Crystals as a Pnictogen Bond DonorPnicogen键: 晶体中分子实体中共价结合的砷原子作为pnicogen键供体
errMOLECULES
IF4.6
err2022-05-25
err19
errOAAI
errVaradwaj, Arpita; Varadwaj, Pradeep R.; Marques, Helder M.; Yamashita, Koichi
err分享
err收藏
The Phosphorus Bond, or the Phosphorus-Centered Pnictogen Bond: The Covalently Bound Phosphorus Atom in Molecular Entities and Crystals as a Pnictogen Bond Donor磷键或以磷为中心的pnicogen键: 分子实体和晶体中共价结合的磷原子作为pnicogen键供体
errMOLECULES
IF4.6
err2022-02-23
err26
errOAAI
errVaradwaj, Pradeep R.; Varadwaj, Arpita; Marques, Helder M.; Yamashita, Koichi
err分享
err收藏
Chalcogen•••Chalcogen Bonding in Molybdenum Disulfide, Molybdenum Diselenide and Molybdenum Ditelluride Dimers as Prototypes for a Basic Understanding of the Local Interfacial Chemical Bonding Environment in 2D Layered Transition Metal Dichalcogenides
errINORGANICS
IF3
err2022-01-12
err10
errOAAI
errVaradwaj, Pradeep R.; Marques, Helder M.; Varadwaj, Arpita; Yamashita, Koichi
err分享
err收藏
Unveiling charge dynamics of visible light absorbing oxysulfide for efficient overall water splitting
errNATURE COMMUNICATIONS
IF15.7
err2021-12-07
err31
errOAAI
errNandal, Vikas; Shoji, Ryota; Matsuzaki, Hiroyuki; Furube, Akihiro; Lin, Lihua; Hisatomi, Takashi; Kaneko, Masanori; Yamashita, Koichi; Domen, Kazunari; Seki, Kazuhiko
err分享
err收藏
Post-lithium-ion batteries: characterization of phosphorous and tin for potassium-ion anodes
errJOURNAL OF MATERIALS SCIENCE
IF3.9
err2021-03-16
err3
PREAI
errArabnejad, Saeid; Kojima, Megumi; Yamashita, Koichi
err分享
err收藏
Phase evolution of electrochemically potassium intercalated graphite电化学钾插层石墨的相演变
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2021-01-01
err34
errOAAI
errOnuma, Hiroo; Kubota, Kei; Muratsubaki, Shotaro; Ota, Wataru; Shishkin, Maxim; Sato, Hirofumi; Yamashita, Koichi; Yasuno, Satoshi; Komaba, Shinichi
err分享
err收藏
The effect of a two-dimensional structure on the dielectric constant and photovoltaic characteristics
errJOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
IF4.7
err2020-10-01
err6
errOAAI
errMishima, Kenji; Sakai, Taishi; Yokota, Kazumichi; Taniguchi, Masateru; Aso, Yoshio; Ie, Yutaka; Yamashita, Koichi
err分享
err收藏
Laser-induced fluorescence of the trans-CHBrCHO radical
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-09-08
err0
PREAI
errMasumoto, Ichiro; Washida, Nobuaki; Inomata, Satoshi; Imamura, Takashi; Muraoka, Azusa; Yamashita, Koichi
err分享
err收藏
Application of accelerated long-range corrected exchange functional [LC-DFT(2Gau)] to periodic boundary condition systems: CO adsorption on Cu(111) surface
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-03-12
err2
PREAI
errMishima, Kenji; Kaneko, Masanori; Song, Jong-Won; Kawai, Hiroki; Yamashita, Koichi; Hirao, Kimihiko
err分享
err收藏

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