Authors: Elshazly, Mohamed K.¹ (AUTHOR) m.elshazly@mail.utoronto.ca, Huzayyin, Ahmed^1,2 (AUTHOR), Dawson, Francis¹ (AUTHOR)

Superior Title: Journal of Chemical Physics. 12/14/2023, Vol. 159 Issue 22, p1-15. 15p.

Subject Terms: *GRAPHENE, *DENSITY functional theory, *COPPER, *DENSITY of states, *MOLECULAR dynamics, *NITROGEN in soils

Authors: Wei, Ziyang¹ (AUTHOR), Martirez, John Mark P.² (AUTHOR), Carter, Emily A.^1,2,3 (AUTHOR) eac@princeton.edu

Superior Title: Journal of Chemical Physics. 11/21/2023, Vol. 159 Issue 19, p1-13. 13p.

Subject Terms: *COPPER, *DENSITY functional theory, *PERTURBATION theory, *HETEROGENEOUS catalysis, *BRILLOUIN zones

Authors: Elishav, Oren, Blumer, Ofir, Vanderlick, T. Kyle, Hirshberg, Barak

Superior Title: Journal of Chemical Physics; 4/28/2024, Vol. 160 Issue 16, p1-7, 7p

Subject Terms: MOLECULAR dynamics, COPPER, DENSITY functional theory, LIGANDS (Chemistry), CHEMICAL properties

Authors: Dominguez‐Molano, Paula¹ (AUTHOR), Solé‐Daura, Albert¹ (AUTHOR), Carbó, Jorge J.¹ (AUTHOR) j.carbo@urv.cat, Fernández, Elena¹ (AUTHOR) mariaelena.fernandez@urv.cat

Superior Title: Advanced Science. Apr2024, Vol. 11 Issue 16, p1-10. 10p.

Subject Terms: *CYCLING, *DENSITY functional theory, *COPPER, *BICYCLES, *ALKENES, *CYCLOPROPANATION

Authors: Neto, Marionir M. C. B., Verga, Lucas G., Da Silva, Juarez L. F., Galvão, Breno R. L.

Superior Title: Journal of Chemical Physics; 3/7/2024, Vol. 160 Issue 9, p1-9, 9p

Subject Terms: SILVER alloys, COPPER, CATALYSTS, HYDROGEN evolution reactions, FERMI energy, DENSITY functional theory, ALLOYS, COBALT catalysts

Authors: Sitathani, Krit, Temprano, Israel, Jenkins, Stephen J.

Superior Title: Journal of Chemical Physics; 2/7/2024, Vol. 160 Issue 5, p1-10, 10p

Subject Terms: INFRARED spectroscopy, COPPER, INFRARED absorption, DENSITY functional theory, CARBON monoxide, COLLISION induced dissociation

Authors: MOUSSOUNDA MBA, G. M.¹ (AUTHOR) mbmoussounda@yahoo.fr, BOUNGOU, C. C.¹ (AUTHOR) boungoucedric@yahoo.fr, BOUKA-PIVOTEAU, G. B.¹ (AUTHOR) bgirel.benedie@gmail.com, N'DOLLO, M.¹ (AUTHOR) mndollo@yahoo.fr, MOUSSOUNDA, P. S.¹ (AUTHOR) paulsand_moussounda@yahoo.com, DINTZER, T.² (AUTHOR) thierry.dintzer@unistra.fr

Superior Title: Surface Review & Letters. Jul2024, Vol. 31 Issue 7, p1-23. 23p.

Subject Terms: *COPPER, *DENSITY functional theory, *ADSORPTION (Chemistry), *ORBITAL hybridization, *DENSITY of states

Authors: Talukdar, Vishal¹ (AUTHOR), Mondal, Krishanu¹ (AUTHOR), Kumar Dhaked, Devendra² (AUTHOR), Das, Parthasarathi¹ (AUTHOR) partha@iitism.ac.in

Superior Title: Chemistry - An Asian Journal. Mar2024, Vol. 19 Issue 6, p1-9. 9p.

Subject Terms: *DENSITY functional theory, *COPPER, *RING formation (Chemistry), *CLICK chemistry, *ATMOSPHERIC temperature

Authors: Brocha Silalahi, Rhone P.¹ (AUTHOR), Liang, Hao² (AUTHOR), Jo, Yongsung³ (AUTHOR), Liao, Jian‐Hong¹ (AUTHOR), Chiu, Tzu‐Hao¹ (AUTHOR), Wu, Ying‐Yann¹ (AUTHOR), Wang, Xiaoping⁴ (AUTHOR), Kahlal, Samia² (AUTHOR), Wang, Qi² (AUTHOR), Choi, Woojun³ (AUTHOR), Lee, Dongil³ (AUTHOR) dongil@yonsei.ac.kr, Saillard, Jean‐Yves² (AUTHOR) jean-yves.saillard@univ-rennes.fr, Liu, C. W.¹ (AUTHOR) chenwei@gms.ndhu.edu.tw

Superior Title: Chemistry - A European Journal. Mar2024, Vol. 30 Issue 13, p1-9. 9p.

Subject Terms: *HYDROGEN evolution reactions, *DENSITY functional theory, *CATALYST structure, *HYDROGEN, *ELECTRONIC structure

Authors: Gong, Kai¹ (AUTHOR), Wen, Xue-Wei¹ (AUTHOR), He, Xuan-Feng¹ (AUTHOR), Fei, Yu-Huai¹ (AUTHOR), Song, Jing¹ (AUTHOR) songjing@cust.edu.cn, Wang, Cong¹ (AUTHOR) wangc813@cust.edu.cn

Superior Title: New Journal of Chemistry. 2/21/2024, Vol. 48 Issue 7, p3232-3238. 7p.

Subject Terms: *COPPER clusters, *DENSITY functional theory, *ELECTROLYTIC reduction, *COPPER, *HYDROGEN evolution reactions

Authors: Cheng, Yan¹ (AUTHOR), Shi, Shunping¹ (AUTHOR) shishunping13@cdut.edu.cn, Song, Yong¹ (AUTHOR) syong@cdut.edu.cn, Liu, Bingxin¹ (AUTHOR), Yao, Chunyu¹ (AUTHOR), Jiang, Jing¹ (AUTHOR), Li, Yong² (AUTHOR), Chen, Deliang³ (AUTHOR)

Superior Title: International Journal of Quantum Chemistry. 1/5/2024, Vol. 124 Issue 1, p1-12. 12p.

Subject Terms: *DENSITY functional theory, *COPPER, *ELECTRON donors, *ADSORPTION (Chemistry), *CHARGE exchange, *EXOTHERMIC reactions

Authors: Silva, Adilson Luís Pereira^1,2 (AUTHOR), Varela Júnior, Jaldyr de Jesus Gomes² (AUTHOR) jaldyr.varela@ufma.br

Superior Title: Journal of Inorganic & Organometallic Polymers & Materials. Jan2024, Vol. 34 Issue 1, p302-312. 11p.

Subject Terms: *DENSITY functional theory, *ENERGY bands, *CHLORIDES, *COPPER, *BAND gaps

Authors: Pena, Lucas B., Da Silva, Lucas R., Da Silva, Juarez L. F., Galvão, Breno R. L.

Superior Title: Journal of Chemical Physics; 12/28/2023, Vol. 159 Issue 24, p1-13, 13p

Subject Terms: GOLD clusters, COPPER, GOLD alloys, DENSITY functional theory, GOLD, CHARGE transfer

Authors: Gonzalez, Federico J., Seminara, Giulia N., López, Miranda I., Lombardi, Juan M., Ramos, Maximiliano, Tachino, Carmen A., Martínez, Alejandra E., Busnengo, H. Fabio

Superior Title: Journal of Chemical Physics; 12/14/2023, Vol. 159 Issue 22, p1-12, 12p

Subject Terms: COPPER, INTERMOLECULAR forces, MOLECULAR beams, DENSITY functional theory, CARBON monoxide

Authors: Moreira, Jeniffer Meyer¹ (AUTHOR), Campos, Guilherme Fava¹ (AUTHOR), de Campos Pinto, Leandro Moreira² (AUTHOR), Martins, Gabriel Rodrigues² (AUTHOR), Tirloni, Bárbara³ (AUTHOR), Schwalm, Cristiane Storck¹ (AUTHOR), de Carvalho, Cláudio Teodoro¹ (AUTHOR) claudiocarvalho@ufgd.edu.br

Superior Title: Journal of Thermal Analysis & Calorimetry. Mar2022, Vol. 147 Issue 6, p4087-4098. 12p.

Subject Terms: *TIME-dependent density functional theory, *CRYSTAL structure, *COPPER compounds, *LIGANDS (Chemistry), *DENSITY functional theory, *COPPER

Authors: AL-Toki, Hussein Ghafel¹ (AUTHOR), Maalej, Ramzi¹ (AUTHOR) ramzi.maalej@fss.usf.tn, Shohany, Boshra Ghanbari² (AUTHOR)

Superior Title: Optical & Quantum Electronics. Dec2023, Vol. 55 Issue 14, p1-17. 17p.

Subject Terms: *DENSITY functional theory, *OPTICAL properties, *QUANTUM dots, *COPPER, *DIELECTRIC function, *THRESHOLD energy, *SEMICONDUCTOR quantum dots

Authors: Lakshmy, Seetha¹ (AUTHOR), Kalarikkal, Nandakumar^1,2,3 (AUTHOR) nkkalarikkal@mgu.ac.in, Chakraborty, Brahmananda^4,5 (AUTHOR) brahma@barc.gov.in

Superior Title: Journal of Physics D: Applied Physics. 12/7/2023, Vol. 56 Issue 49, p1-14. 14p.

Subject Terms: *DENSITY functional theory, *VAN der Waals forces, *MOLECULAR dynamics, *NITROBENZENE, *COPPER, *INDUSTRIAL wastes

Authors: Sun, Yulin^1,2 (AUTHOR) liupx@zju.edu.cn, Liu, Peixi² (AUTHOR) yiwei_zhang@zju.edu.cn, Zhang, Yiwei² (AUTHOR), He, Yong^1,2 (AUTHOR) heyong@zju.edu.cn, Zhu, Yanqun^1,2 (AUTHOR) yqzhu@zju.edu.cn, Wang, Zhihua^1,2 (AUTHOR) wangzh@zju.edu.cn

Superior Title: Catalysts (2073-4344). Dec2023, Vol. 13 Issue 12, p1491. 16p.

Subject Terms: *DENSITY functional theory, *COPPER, *OZONIZATION, *ETHYL acetate, *CATALYSTS, *INHIBITION (Chemistry)

Authors: Xi, Wenshan¹ (AUTHOR), Jin, Lujie² (AUTHOR), Mahmood, Asif¹ (AUTHOR), Zhang, Weikai¹ (AUTHOR), Li, Youyong² (AUTHOR), Li, Hui³ (AUTHOR), An, Pengfei⁴ (AUTHOR), Zhang, Jing⁴ (AUTHOR), Ma, Tianyi³ (AUTHOR) tianyi.ma@rmit.edu.au, Liu, Shengzhong¹ (AUTHOR), Yan, Junqing¹ (AUTHOR) junqingyan@snnu.edu.cn

Superior Title: Advanced Energy Materials. Dec2023, Vol. 13 Issue 45, p1-12. 12p.

Subject Terms: *HYDROGEN evolution reactions, *DENSITY functional theory, *COPPER, *HYDROGEN, *ELECTROCATALYSTS

Authors: Mitsuhara, Akihiro¹ (AUTHOR), Yukawa, Hiroshi¹ (AUTHOR), Kimizuka, Hajime¹ (AUTHOR) kimizuka@nagoya-u.jp

Superior Title: International Journal of Hydrogen Energy. Nov2023, Vol. 48 Issue 92, p35997-36009. 13p.

Subject Terms: *POINT defects, *DENSITY functional theory, *HYDROGEN as fuel, *COPPER, *INTERMETALLIC compounds, *DIFFUSION