Zobrazeno 1 - 10
of 410 449
pro vyhledávání: '"Functional theory"'
Autor:
Zhao G; College of Marine Technology and Environment, Dalian Ocean University, Dalian 116023, China., Li W; College of Marine Technology and Environment, Dalian Ocean University, Dalian 116023, China., Xu C; College of Marine Technology and Environment, Dalian Ocean University, Dalian 116023, China., Qin Q; College of Marine Technology and Environment, Dalian Ocean University, Dalian 116023, China., Fan W; College of Marine Technology and Environment, Dalian Ocean University, Dalian 116023, China., Li X; Key Laboratory of Industrial Ecology and Environmental Engineering, Ministry of Education, College of environmental science and engineering, Dalian University of Technology, Dalian 116023, China., Zhao D; College of Marine Technology and Environment, Dalian Ocean University, Dalian 116023, China. Electronic address: zhaodan@dlou.edu.cn.
Publikováno v:
The Science of the total environment [Sci Total Environ] 2024 Nov 15; Vol. 951, pp. 175690. Date of Electronic Publication: 2024 Aug 22.
Autor:
Khnifira M; Sultan Moulay Slimane University of Beni Mellal, Multidisciplinary Research and Innovation Laboratory, FP Khouribga, BP. 145, 2500 Khouribga, Morocco., Boumya W; Sultan Moulay Slimane University of Beni Mellal, Multidisciplinary Research and Innovation Laboratory, FP Khouribga, BP. 145, 2500 Khouribga, Morocco., Atarki J; Sultan Moulay Slimane University of Beni Mellal, Multidisciplinary Research and Innovation Laboratory, FP Khouribga, BP. 145, 2500 Khouribga, Morocco., Sadiq M; Sultan Moulay Slimane University of Beni Mellal, Multidisciplinary Research and Innovation Laboratory, FP Khouribga, BP. 145, 2500 Khouribga, Morocco., Abdennouri M; Sultan Moulay Slimane University of Beni Mellal, Multidisciplinary Research and Innovation Laboratory, FP Khouribga, BP. 145, 2500 Khouribga, Morocco., Barka N; Sultan Moulay Slimane University of Beni Mellal, Multidisciplinary Research and Innovation Laboratory, FP Khouribga, BP. 145, 2500 Khouribga, Morocco. Electronic address: barkanoureddine@yahoo.fr.
Publikováno v:
International journal of biological macromolecules [Int J Biol Macromol] 2024 Nov; Vol. 281 (Pt 1), pp. 136970. Date of Electronic Publication: 2024 Oct 28.
Autor:
Carnevale Neto F; Northwest Metabolomics Research Center, Department of Anesthesiology and Pain Medicine, University of Washington, Seattle, WA, USA., Vessecchi R; Departamento de Química, Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto, Universidade de São Paulo, Ribeirão Preto, SP, Brazil.
Publikováno v:
Rapid communications in mass spectrometry : RCM [Rapid Commun Mass Spectrom] 2024 Dec 30; Vol. 38 (24), pp. e9913.
Autor:
Khaled NA; Therapeutical Chemistry Department, National Research Centre, 33 El-Bohouth St., Dokki, Giza 12622, Egypt., Ibrahim MA; Spectroscopy Department, National Research Centre, 33 El-Bohouth St., Dokki, Giza 12622, Egypt; Molecular Modeling and Spectroscopy Laboratory, Centre of Excellence for Advanced Science, National Research Centre, 33 El-Bohouth St., Dokki, Giza 12622, Egypt. Electronic address: ma.khalek@nrc.sci.eg., Mohamed NA; Therapeutical Chemistry Department, National Research Centre, 33 El-Bohouth St., Dokki, Giza 12622, Egypt., Ahmed SA; Department of Chemistry, Faculty of Science, Beni-Suef University, Beni-Suef 62511, Egypt; Basic Science Department, Faculty of Engineering, Nahda University Beni-Suef (NUB), Beni Suef, Egypt., Ahmed NS; Therapeutical Chemistry Department, National Research Centre, 33 El-Bohouth St., Dokki, Giza 12622, Egypt.
Publikováno v:
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy [Spectrochim Acta A Mol Biomol Spectrosc] 2024 Dec 15; Vol. 323, pp. 124864. Date of Electronic Publication: 2024 Jul 21.
Autor:
Firme CL; Federal University of Rio Grande do Norte (UFRN), Institute of Chemistry, Av. Senador Salgado Filho, 3000, Central Campus, Natal, CEP:59078-970, Brazil. Electronic address: firme.caio@gmail.com.
Publikováno v:
Journal of molecular graphics & modelling [J Mol Graph Model] 2024 Dec; Vol. 133, pp. 108879. Date of Electronic Publication: 2024 Oct 09.
Autor:
Somtua T; Computational Chemistry Center for Nanotechnology, Department of Chemistry, Faculty of Science and Technology, Rajabhat Maha Sarakham University, Maha Sarakham, 44000, Thailand., Rakrai W; Computational Chemistry Center for Nanotechnology, Department of Chemistry, Faculty of Science and Technology, Rajabhat Maha Sarakham University, Maha Sarakham, 44000, Thailand., Tabtimsai C; Computational Chemistry Center for Nanotechnology, Department of Chemistry, Faculty of Science and Technology, Rajabhat Maha Sarakham University, Maha Sarakham, 44000, Thailand., Wanno B; Supramolecular Chemistry Research Unit and Center of Excellence for Innovation in Chemistry (PERCH-CIC), Department of Chemistry, Faculty of Science, Mahasarakham University, Maha Sarakham, 44150, Thailand. Electronic address: banchobw@gmail.com.
Publikováno v:
Journal of molecular graphics & modelling [J Mol Graph Model] 2024 Dec; Vol. 133, pp. 108870. Date of Electronic Publication: 2024 Sep 19.
Autor:
Hu X; School of Mechanical Engineering, Sichuan University of Science and Engineering, Zigong, 643000, China; Key Laboratory of Brewing Biotechnology and Application of Sichuan Province, Yibin, 644000, China. Electronic address: xjhu@suse.edu.com., Yu J; Organic Fluorine Material Key Laboratory of Sichuan Province, Zhonghao Chengguang Chemical Industry Research Institute Co., Ltd., Zigong, 643000, China., Jiang M; School of Mechanical Engineering, Sichuan University of Science and Engineering, Zigong, 643000, China., Tian J; School of Mechanical Engineering, Sichuan University of Science and Engineering, Zigong, 643000, China., Chen M; School of Mechanical Engineering, Sichuan University of Science and Engineering, Zigong, 643000, China. Electronic address: cmj919826@163.com., Huang D; Key Laboratory of Brewing Biotechnology and Application of Sichuan Province, Yibin, 644000, China.
Publikováno v:
Journal of molecular graphics & modelling [J Mol Graph Model] 2024 Dec; Vol. 133, pp. 108864. Date of Electronic Publication: 2024 Sep 12.
Autor:
Abbaspour M; Dept. of Chemistry, Hakim Sabzevari University, Sabzevar, Iran. Electronic address: m.abbaspour@hsu.ac.ir., Morsali A; Department of Chemistry, Mashhad Branch, Islamic Azad University, Mashhad, Iran.
Publikováno v:
Journal of molecular graphics & modelling [J Mol Graph Model] 2024 Dec; Vol. 133, pp. 108862. Date of Electronic Publication: 2024 Sep 12.
Autor:
Honda Y; West Japan Office, HPC Systems Inc., 646 Nijohanjikicho, Shimogyo-ku, Kyoto, 600-8412, Japan. Electronic address: ya-honda@hpc.co.jp., Ghosh A; Department of Chemistry, Faculty of Science & Technology, Meijo University, 1-501 Shiogamaguchi, Tempaku-ku, Nagoya, Aichi, 468-8502, Japan., Nishida Y; Fuji Chemical Industries, Co., Ltd., 55 Yokohoonji, Kamiich-machi, Nakaniikawa-gun, Toyama, 930-0405, Japan., Honda M; Department of Chemistry, Faculty of Science & Technology, Meijo University, 1-501 Shiogamaguchi, Tempaku-ku, Nagoya, Aichi, 468-8502, Japan; Graduate School of Environmental and Human Sciences, Meijo University, 1-501 Shiogamaguchi, Tempaku-ku, Nagoya, Aichi, 468-8502, Japan. Electronic address: honda@meijo-u.ac.jp.
Publikováno v:
Biochemical and biophysical research communications [Biochem Biophys Res Commun] 2024 Nov 26; Vol. 735, pp. 150858. Date of Electronic Publication: 2024 Oct 19.
Autor:
Diaz AH; Departamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andrés Bello, Avenida Republica 275, Santiago 8370146, Chile.; Departamento de Investigación y Desarrollo, Good Global Research and Science (GGRS), Avenida Ramón Picarte 780, Valdivia 5090000, Chile.; Departamento de I+D+i, CatchPredict SpA, Avenida Ramón Picarte 780, Valdivia 5090000, Chile., Duque-Noreña M; Departamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andrés Bello, Avenida Republica 275, Santiago 8370146, Chile.; Centro de Quimica Teórica y Computacional (CQT&C). Departamento de Ciencias Quimicas. Facultad de Ciencias Exactas, Universidad Andres Bello, Avenida Republica 275, Santiago 8370146, Chile., Rincón E; Facultad de Ciencias, Instituto de Ciencias Químicas, Universidad Austral de Chile, Independencia 631, Valdivia 5090000, Chile., Chamorro E; Departamento de Investigación y Desarrollo, ConsultoresAcademicos SpA, Santiago 1137, Santiago 8340457, Chile.
Publikováno v:
Journal of chemical information and modeling [J Chem Inf Model] 2024 Nov 25; Vol. 64 (22), pp. 8510-8520. Date of Electronic Publication: 2024 Nov 11.