المؤلفون: Appleton, Robert J.¹ (AUTHOR) strachan@purdue.edu, McClure, Zachary D.¹ (AUTHOR), Adams, David P.² (AUTHOR), Strachan, Alejandro¹ (AUTHOR)

المصدر: Journal of Chemical Physics. 5/7/2024, Vol. 160 Issue 17, p1-11. 11p.

مصطلحات موضوعية: *ATOMIC structure, *PHASE transitions, *AMORPHOUS carbon, *PHASE change materials, *MOLECULAR dynamics, *DENSITY functional theory, *DOPING agents (Chemistry), *FULLERENES

المؤلفون: Hattori, Shuto¹ (AUTHOR) hattori.shuto.f2@s.mail.nagoya-u.ac.jp, Oshiyama, Atsushi² (AUTHOR), Shiraishi, Kenji^1,2 (AUTHOR)

المصدر: Journal of Applied Physics. 5/7/2024, Vol. 135 Issue 17, p1-7. 7p.

مصطلحات موضوعية: *ATOMIC structure, *GALLIUM nitride, *VALENCE bands

المؤلفون: Li, Renzhe^1,2 (AUTHOR) henkelman@utexas.edu, Zhou, Chuan¹ (AUTHOR), Singh, Akksay^1,3,4 (AUTHOR), Pei, Yong² (AUTHOR), Henkelman, Graeme^3,4 (AUTHOR) lil33@sustech.edu.cn, Li, Lei¹ (AUTHOR)

المصدر: Journal of Chemical Physics. 2/21/2024, Vol. 160 Issue 7, p1-11. 11p.

مصطلحات موضوعية: *ATOMIC structure, *MACHINE learning, *COMMUNITY banks, *COMPUTATIONAL chemistry, *EUCLIDEAN distance

المؤلفون: Ritter, Konrad^1,2 (AUTHOR) konrad.ritter@physik.uni-leipzig.de, Gurieva, Galina³ (AUTHOR), Eckner, Stefanie^1,2 (AUTHOR), Schwiddessen, René³ (AUTHOR), d'Acapito, Francesco⁴ (AUTHOR), Welter, Edmund⁵ (AUTHOR), Schorr, Susan^3,6 (AUTHOR), Schnohr, Claudia S.^1,2 (AUTHOR)

المصدر: Journal of Chemical Physics. 2023, Vol. 159 Issue 15, p1-11. 11p.

مصطلحات موضوعية: *MOLECULAR force constants, *ATOMIC structure, *PYROMETRY

المؤلفون: Qiao, Beibei, Sun, Ziyi, Jiang, Yixiao, Yao, Tingting, Jin, Qianqian, He, Neng, Tao, Ang, Yan, Xuexi, Yang, Zhiqing, Chen, Chunlin, Ma, Xiu-Liang, Ye, Hengqiang

المصدر: Journal of Applied Physics; 6/7/2024, Vol. 135 Issue 21, p1-9, 9p

مصطلحات موضوعية: ELECTRON energy loss spectroscopy, THIN films, ATOMIC structure, SCANNING transmission electron microscopy, CARRIER density, TRANSMISSION electron microscopy

المؤلفون: Kety, Kossi, Namsrai, Tsogbadrakh, Nawaz, Huma, Rostami, Samare, Seriani, Nicola

المصدر: Journal of Chemical Physics; 5/28/2024, Vol. 160 Issue 20, p1-13, 13p

مصطلحات موضوعية: MOLYBDENUM sulfides, MACHINE learning, ATOMIC models, ATOMIC structure, EXCESS electrons, FERMI level

المؤلفون: Galvez Vallejo, Jorge L.¹ (AUTHOR), Snowdon, Calum¹ (AUTHOR), Stocks, Ryan¹ (AUTHOR), Kazemian, Fazeleh¹ (AUTHOR), Yan Yu, Fiona Chuo¹ (AUTHOR), Seidl, Christopher¹ (AUTHOR), Seeger, Zoe² (AUTHOR), Alkan, Melisa³ (AUTHOR), Poole, David⁴ (AUTHOR), Westheimer, Bryce M.³ (AUTHOR), Basha, Mehaboob⁵ (AUTHOR), De La Pierre, Marco⁵ (AUTHOR), Rendell, Alistair⁶ (AUTHOR), Izgorodina, Ekaterina I.² (AUTHOR), Gordon, Mark S.⁷ (AUTHOR), Barca, Giuseppe M. J.¹ (AUTHOR) giuseppe.barca@anu.edu.au

المصدر: Journal of Chemical Physics. 7/28/2023, Vol. 159 Issue 4, p1-24. 24p.

مصطلحات موضوعية: *ATOMIC structure, *ELECTRONIC systems, *SUPERCOMPUTERS, *MATERIALS science, *DRUG discovery, *QUANTUM chemistry, *ELECTRONIC structure

المؤلفون: Wuliji, Hexige¹ (AUTHOR), Ma, Yupeng¹ (AUTHOR) zkp.1989@sjtu.edu.cn, Chen, Heyang¹ (AUTHOR), Wei, Tian-Ran¹ (AUTHOR), Zhao, Kunpeng¹ (AUTHOR) yysun@mail.sic.ac.cn, Sun, Yi-Yang² (AUTHOR), Shi, Xun^1,2 (AUTHOR)

المصدر: Journal of Chemical Physics. 6/28/2023, Vol. 158 Issue 24, p1-10. 10p.

مصطلحات موضوعية: *ATOMIC structure, *SILVER sulfide, *SEMICONDUCTORS, *MOLECULAR dynamics, *DENSITY functional theory

المؤلفون: Yuehuan, Zhang¹ (AUTHOR), Yuan, Qiang¹ (AUTHOR) qyuan@gzu.edu.cn

المصدر: Chemical Communications. 7/18/2024, Vol. 60 Issue 56, p7188-7191. 4p.

مصطلحات موضوعية: *ATOMIC structure, *INTERSTITIAL hydrogen generation, *ATOMIC clusters, *HYDROGEN, *SEAWATER

المؤلفون: Wang, Qingtao¹ (AUTHOR) wangqt@nwnu.edu.cn, Wei, Xun¹ (AUTHOR), Wu, Yanxia¹ (AUTHOR), Ma, Guofu¹ (AUTHOR), Lei, Ziqiang¹ (AUTHOR), Ren, Shufang^1,2 (AUTHOR) rsf@gsupl.edu.cn

المصدر: Journal of Colloid & Interface Science. Jun2024, Vol. 664, p893-901. 9p.

مصطلحات موضوعية: *ATOMIC clusters, *ATOMIC structure, *IRON clusters, *ACTIVATION energy, *CHARGE exchange, *LITHIUM-air batteries, *IRON, *OXYGEN reduction