Authors: JOHNSON, SALLY COLE

Superior Title: Laser Focus World. Jan2024, Vol. 60 Issue 1, p18-22. 5p.

Subject Terms: TIME-dependent density functional theory, FEMTOSECOND lasers

Authors: Zhang, Xiang^1,2,3 (AUTHOR), Huang, Yunpeng⁴ (AUTHOR), Wang, Jikun⁵ (AUTHOR), Tang, Jie¹ (AUTHOR), Mei, Yang¹ (AUTHOR), Zhu, Nali¹ (AUTHOR), Li, Zhigang¹ (AUTHOR), Li, Lingxiangyu¹ (AUTHOR) lingxiangyu.li@ucas.ac.cn, Wang, Yawei^1,2,3 (AUTHOR)

Superior Title: Journal of Environmental Sciences (Elsevier). May2024, Vol. 139, p170-181. 12p.

Subject Terms: SALIVA, DENSITY functional theory, CELL survival, OXIDATIVE stress, DIGESTIVE organs

Authors: Zhang, Hongguo^1,2 (AUTHOR), Wan, Kuilin¹ (AUTHOR), Yan, Jia^1,2 (AUTHOR), Li, Qian¹ (AUTHOR), Guo, Yufang¹ (AUTHOR), Huang, Lei^1,2 (AUTHOR) znhuanglei@foxmail.com, Arulmani, Samuel Raj Babu¹ (AUTHOR), Luo, Jian^1,3 (AUTHOR) jian.luo@ce.gatech.edu

Superior Title: Journal of Environmental Sciences (Elsevier). Jan2024, Vol. 135, p118-129. 12p.

Subject Terms: DENSITY functional theory, PYROLYTIC graphite, NITROGEN, DEIONIZATION of water, FLUORIDES, DOPING agents (Chemistry), ADSORPTION kinetics, DENSITY of states

Authors: Xu, Tong^1,2 (AUTHOR), Chen, Jingwen^1,2 (AUTHOR) jwchen@dlut.edu.cn, Xia, Deming² (AUTHOR), Tang, Weihao^2,3 (AUTHOR), Cui, Jiansheng¹ (AUTHOR), Liu, Chun¹ (AUTHOR), Li, Shuangjiang¹ (AUTHOR)

Superior Title: Journal of Environmental Sciences (Elsevier). Jan2024, Vol. 135, p51-58. 8p.

Subject Terms: HYDROLYSIS kinetics, DENSITY functional theory, STRUCTURE-activity relationships, CHEMICAL processes, PHTHALATE esters, ELECTRONEGATIVITY

Authors: Sun, Yanhui¹ (AUTHOR) sunyh@qust.edu.cn, Li, Ming¹ (AUTHOR), Hadizadeh, Mohammad Hassan² (AUTHOR), Liu, Lin¹ (AUTHOR), Xu, Fei^1,2 (AUTHOR) xufei@sdu.edu.cn

Superior Title: Journal of Environmental Sciences (Elsevier). Jul2023, Vol. 129, p189-201. 13p.

Subject Terms: CHRONIC toxicity testing, DENSITY functional theory, METHYLENE group, HYGIENE products, GREEN algae, BRANCHING ratios

Alternate Title: Study on π-π stacking between asphaltene molecules by DFT and MM methods.

Authors: 罗 辉¹ luohui@upc.edu.cn, 吕慧栋¹, 周嘉安琪¹, 邓文安¹, 李 传¹, 南国枝¹

Superior Title: Journal of China University of Petroleum. feb2023, Vol. 47 Issue 1, p189-196. 8p.

Subject Terms: POTENTIAL energy surfaces, DENSITY functional theory, MOLECULAR force constants, CENTER of mass, ASPHALTENE, DIMERS, DISTANCES

Authors: Zhang, Jiahui¹ (AUTHOR), Zhang, Wenliang¹ (AUTHOR), Wang, Yue¹ (AUTHOR), Jiang, Shaoyi¹ (AUTHOR), Wang, Yan¹ (AUTHOR) yanwang@qdu.edu.cn, Ding, Zhezheng¹ (AUTHOR) dyyyzz@qdu.edu.cn, Liu, Xiaomin¹ (AUTHOR) liuxiaomin@qdu.edu.cn

Superior Title: Journal of Cleaner Production. Jun2024, Vol. 457, pN.PAG-N.PAG. 1p.

Subject Terms: *POLLUTANTS, DENSITY functional theory, ORGANOCHLORINE pesticides, TOXICITY testing, ENVIRONMENTAL risk, PH effect

Authors: Gorai, Deepak Kumar¹ (AUTHOR) tkkundu@gmail.com, Kundu, Tarun¹ (AUTHOR)

Superior Title: Materials & Manufacturing Processes. 2020, Vol. 35 Issue 6, p625-634. 10p.

Subject Terms: DENSITY functional theory, OPTICAL conductivity, MONOMOLECULAR films, LIGHT absorption, ELECTRON work function, CHARGE carriers

Authors: Li, Haotian¹ (AUTHOR) haotian.li@whu.edu.cn, Zeng, Fuping¹ (AUTHOR) fuping.zeng@whu.edu.cn, Chen, Rirong¹ (AUTHOR) 3311838756@qq.com, She, Congdong¹ (AUTHOR) 1948243710@qq.com, Zhu, Kexin¹ (AUTHOR) 739302797@qq.com, Dai, Liangjun² (AUTHOR) 1075834453@qq.com, Yao, Qiang² (AUTHOR) yaoqiang212@aliyun.com, Tang, Ju³ (AUTHOR) cqtangju@vip.sina.com

Superior Title: IEEE Transactions on Dielectrics & Electrical Insulation. Apr2022, Vol. 29 Issue 2, p701-708. 8p.

Subject Terms: THERMAL stability, DENSITY functional theory, THERMAL properties

Authors: Xie, Geliang¹ (AUTHOR), Zhu, Guoqiang¹ (AUTHOR), Kang, Yifan¹ (AUTHOR), Zhu, Mingxu¹ (AUTHOR), Lu, Qianqian² (AUTHOR), He, Chao³ (AUTHOR), Xu, Lujiang¹ (AUTHOR) lujiangxu@njau.edu.cn, Fang, Zhen¹ (AUTHOR)

Superior Title: Journal of Cleaner Production. Jan2024, Vol. 434, pN.PAG-N.PAG. 1p.

Subject Terms: *WASTE recycling, DEPOLYMERIZATION, DENSITY functional theory, POLYETHYLENE terephthalate, PLASTICS, ACTIVATION energy

Authors: Yıldız, Buğra¹ bugrayildiz@hacettepe.edu.tr, Erkişi, Aytaç² aerkisi@pau.edu.tr

Superior Title: Sakarya University Journal of Science (SAUJS) / Sakarya Üniversitesi Fen Bilimleri Enstitüsü Dergisi. Apr2024, Vol. 28 Issue 2, p326-332. 7p.

Subject Terms: ELECTRONIC band structure, BAND gaps, DENSITY functional theory, DENSITY of states, SPACE groups, ZINTL compounds

Authors: Nandan, Keshari¹ keshari@iitk.ac.in, Agarwal, Amit², Bhowmick, Somnath³, Chauhan, Yogesh S.¹ chauhan@iitk.ac.in

Superior Title: IEEE Transactions on Electron Devices. Dec2021, Vol. 68 Issue 12, p6551-6557. 7p.

Subject Terms: DENSITY functional theory, FIELD-effect transistors, QUANTUM theory, DISCRETE Fourier transforms, TRANSPORT theory, MONOMOLECULAR films, CHLORIDE channels

Authors: Gan, Weizhuo¹, Luo, Kun¹, Qi, Guodong², Prentki, Raphael J.³, Liu, Fei⁴, Huo, Jiali¹, Huang, Weixing¹, Bu, Jianhui¹, Zhang, Qingzhu¹, Yin, Huaxiang¹, Guo, Hong³ hong.guo@mcgill.ca, Lu, Ye² lu_ye@fudan.edu.cn, Wu, Zhenhua¹ wuzhenhua@ime.ac.cn

Superior Title: IEEE Transactions on Electron Devices. Nov2021, Vol. 68 Issue 11, p5455-5461. 7p.

Subject Terms: GREEN'S functions, DENSITY functional theory, DISCRETE Fourier transforms, NANOWIRES

Authors: Souza, Sílvio Alves¹, Duarte, Denise² denise@est.ufmg.br, Mendes, Eduardo M. A. M.³

Superior Title: Applied Stochastic Models in Business & Industry. Nov2017, Vol. 33 Issue 6, p590-601. 12p.

Subject Terms: *TIME series analysis, *CROSS correlation, *MARKOV processes, DENSITY functional theory, COEFFICIENTS (Statistics)

Authors: Yang, Xingchen^1,2 (AUTHOR), Ming, Fucheng¹ (AUTHOR), Wang, Jianlong^3,4 (AUTHOR), Xu, Lejin^1,2 (AUTHOR) xulejin@hust.edu.cn

Superior Title: Journal of Environmental Sciences (Elsevier). Jan2024, Vol. 135, p296-309. 14p.

Subject Terms: ORGANIC solvents, AMINO acids, DENSITY functional theory, IRON, FRONTIER orbitals, GLUTAMIC acid

Authors: Breuer, Lothar¹ (AUTHOR) L.Breuer@mail.de

Superior Title: Stochastic Models. 2016, Vol. 32 Issue 4, p632-642. 11p.

Subject Terms: *DISTRIBUTION (Probability theory), *ESTIMATION theory, DENSITY functional theory, BIVARIATE analysis, DERIVATIVES (Mathematics)

Authors: Machalová, J.¹ (AUTHOR) jitka.machalova@upol.cz, Hron, K.¹ (AUTHOR), Monti, G.S.² (AUTHOR)

Superior Title: Journal of Applied Statistics. Jun2016, Vol. 43 Issue 8, p1419-1435. 17p. 4 Charts, 5 Graphs.

Subject Terms: *DATA analysis, *PROBABILITY theory, DENSITY functionals, DENSITY functional theory, SPLINES

Authors: Craig, Steven G.¹ scraig@uh.edu, Kohlhase, Janet E.¹ jkohlhase@uh.edu, Perdue, Adam W.² awperdue@bauer.uh.edu

Superior Title: Journal of Regional Science. Jan2016, Vol. 56 Issue 1, p25-52. 28p. 2 Diagrams, 12 Charts, 1 Graph, 2 Maps.

Subject Terms: *CENTRAL business districts, *MEDICAL centers, LEGAL pluralism, DENSITY functional theory, STANDARD metropolitan statistical areas

Authors: Göttlich, S.¹ goettlich@math.uni-mannheim.degoettlich@uni-mannheim.de, Kühn, S.¹ sekuehn@math.uni-mannheim.de, Schwarz, J.² schwarz@bwl.uni-mannheim.de, Stolletz, R.² stolletz@bwl.uni-mannheim.de

Superior Title: Mathematical Methods of Operations Research. Jun2016, Vol. 83 Issue 3, p295-323. 29p.

Subject Terms: *APPROXIMATION theory, *INTEGER programming, TIME-dependent density functional theory, STOCHASTIC approximation, LINE drivers (Integrated circuits)

Authors: Wen, Yueying¹ (AUTHOR), Qi, Tianming¹ (AUTHOR), Wu, Zhennan¹ (AUTHOR), Xing, Jianing¹ (AUTHOR), Yang, Fan² (AUTHOR), Wu, Yan¹ (AUTHOR) wu_yan@sjtu.edu.cn, Liu, Tong¹ (AUTHOR), Wei, Yuezhou¹ (AUTHOR)

Superior Title: Journal of Cleaner Production. Jul2023, Vol. 410, pN.PAG-N.PAG. 1p.

Subject Terms: *LIQUID waste, LEACHING, DENSITY functional theory, X-ray spectra, ALUMINUM, ION exchange (Chemistry)