ADSORPTION PROCESS OF PESTICIDE ON SWCNT FUNCTIONALIZED AND CROSSLINKED WITH CHITOSAN USING PM3 SEMI-EMPIRICAL METHOD AND MONTE CARLO SIMULATION

Autor: Alfredo de Jesús-González, Norma Aurea Rangel-Vázquez

Publikováno v: Química Nova, Vol 48, Iss 2 (2024)

In this work, using the PM3 semi-empirical method, the oxidation of the single-walled carbon nanotube (SWCNT) was studied by sulfuric and nitric acid for the incorporation of carbonyl (C=O), phenol (OH) and carboxylic (COOH) groups in the C=C bonds p

Externí odkaz: https://doaj.org/article/cd26f24de1594adb87280a4134660bad

Contributors

Autor: Abdellah Aaddane, Mohammed Abdullah Issa, Noor Amirah Abdul Halim, Tapan Kumar Adhya, Michael Arkas, Shirsendu Banerjee, Cristiano P. Borges, Abdelmjid Bouazizi, Cristian H. Campos, Jorge Vinicius Fernandes Lima Cavalcanti, Sankha Chakrabortty, Amit Chattree, Juan Carlos Colmenares, Bruno Melo da Luz, Maurício Alves da Motta Sobrinho, Gabriela Silveira da Rosa, Shabnam Dan, André Ricardo Felkl de Almeida, Madson de Godoi Pereira, Alfredo De Jesús-González, Paola-Sarahí De Velasco-Maldonado, Eleni A. Deliyanni, Arnaud Victor dos Santos, Marilina Douloudi, Mathias Ernst, Fabiana V. Fonseca, K.Y. Foo, Tiago José Marques Fraga, Regina Geris, Marcos Gomes Ghislandi, Dimitrios A. Giannakoudakis, Balendu Shekher Giri, Nur Haninah Harun, Oshadi Hettithanthri, Vimal Katiyar, Theodora Katsika, Ioannis Katsoyiannis, Dejan Kepić, Vaneet Kumar, Shaniv Kumar Tiwari, N. Lakshmana Reddy, Aline M.F. Linhares, Iván F. Macías-Quiroga, Marcos Malta, Saikumar Manchala, Natalia Manousi, Manuela Manrique-Holguín, Lucas Meili, Ana Rosa Costa Muniz, S.M. Shiva Nagendra, Vaishakh Nair, Nadeeshani Nanayakkara, Jayato Nayak, Eleni Nikoli, Paula Osorio-Vargas, Mohamed Ouammou, Dinesh Pathak, Adriana Pinotti, Luis R. Pizzio, Jovana Prekodravac, Anushka Upamali Rajapaksha, N. Ramesh Reddy, Norma-Aurea Rangel-Vázquez, Íris Nunes Raupp, Julián A. Rengifo-Herrera, Tereza Longaray Rodrigues, null Saruchi, M.V. Shankar, Larissa L.S. Silva, Marie-Odile Simonnot, Mrutyunjay Suar, K.L. Tan, Sonam Tantuvoy, Luana Vaz Tholozan, Najib Tijani, Nitika Tiwari, Athanasia Tolkou, Suraj Kumar Tripathy, Muhammad Usman, Alaor Valério Filho, Bojana Vasiljević, Naveen Kumar Veldurthi, Nirdosh Verma, Meththika Vithanage, Musa Yahaya Pudza, Saad Alami Younssi, George A. Zachariadis, Zurina Zainal Abidin, Hamid Zentou

Publikováno v: Novel Materials for Environmental Remediation Applications ISBN: 9780323918947

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f9668e72f77a044b37e7e45d6027daf3
https://doi.org/10.1016/b978-0-323-91894-7.09990-4

Molecular Analysis of Insulin Through Controlled Adsorption in Hydrogels Based on Chitosan

Autor: Norma-Aurea Rangel-Vázquez, Ana-Karen Frías-González

Publikováno v: Structural Analysis using Computational Chemistry ISBN: 9781003339632

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::65ce0c91afedc773914aca9a997a23f7
https://doi.org/10.1201/9781003339632-3

Quantum Mechanics and Structural Molecular Study (AM1)

Autor: Norma-Aurea Rangel-Vázquez, Nancy-Liliana Delgadillo-Armendariz

Publikováno v: Structural Analysis using Computational Chemistry ISBN: 9781003339632

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::04a87900e87bd65f843392369cec8767
https://doi.org/10.1201/9781003339632-1

PM3 semi-empirical method and Monte Carlo simulation application on pesticides adsorption on SWCNT

Autor: Alfredo de Jesús González, Norma Aurea Rangel Vázquez

Publikováno v: Colloid and Interface Science Communications. 53:100699

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::bc2f900d19b92fe926f77dc0fd7525b4
https://doi.org/10.1016/j.colcom.2023.100699