Artículos de revistas sobre el tema "Industrial Chemistry - Computational Study - Molecules and Processes"
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Oyewola, David Opeoluwa, Emmanuel Gbenga Dada, Onyeka Emebo y Olugbenga Oluseun Oluwagbemi. "Using Deep 1D Convolutional Grated Recurrent Unit Neural Network to Optimize Quantum Molecular Properties and Predict Intramolecular Coupling Constants of Molecules of Potential Health Medications and Other Generic Molecules". Applied Sciences 12, n.º 14 (18 de julio de 2022): 7228. http://dx.doi.org/10.3390/app12147228.
Texto completoLanero, Francesco, Bianca Maria Bresolin, Anna Scettri, Marco Nogarole, Elisabetta Schievano, Stefano Mammi, Giacomo Saielli et al. "Activation of Vegetable Oils by Reaction with Maleic Anhydride as a Renewable Source in Chemical Processes: New Experimental and Computational NMR Evidence". Molecules 27, n.º 23 (23 de noviembre de 2022): 8142. http://dx.doi.org/10.3390/molecules27238142.
Texto completoAng, Dale L., Mubasher Zahir Hoque, Md Abir Hossain, Gea Guerriero, Roberto Berni, Jean-Francois Hausman, Saleem A. Bokhari, Wallace J. Bridge y Khawar Sohail Siddiqui. "Computational Analysis of Thermal Adaptation in Extremophilic Chitinases: The Achilles’ Heel in Protein Structure and Industrial Utilization". Molecules 26, n.º 3 (29 de enero de 2021): 707. http://dx.doi.org/10.3390/molecules26030707.
Texto completoCruz, Guillermo, Javier Acosta, Jose Miguel Mancheño, Jon Del Arco y Jesús Fernández-Lucas. "Rational Design of a Thermostable 2′-Deoxyribosyltransferase for Nelarabine Production by Prediction of Disulfide Bond Engineering Sites". International Journal of Molecular Sciences 23, n.º 19 (5 de octubre de 2022): 11806. http://dx.doi.org/10.3390/ijms231911806.
Texto completoPilon, Alan Cesar, Marcelo Del Grande, Maíra R. S. Silvério, Ricardo R. Silva, Lorena C. Albernaz, Paulo Cézar Vieira, João Luis Callegari Lopes, Laila S. Espindola y Norberto Peporine Lopes. "Combination of GC-MS Molecular Networking and Larvicidal Effect against Aedes aegypti for the Discovery of Bioactive Substances in Commercial Essential Oils". Molecules 27, n.º 5 (28 de febrero de 2022): 1588. http://dx.doi.org/10.3390/molecules27051588.
Texto completoToghan, Arafat, Ahmed Fawzy, Areej Al Bahir, Nada Alqarni, Moustafa M. S. Sanad, Mohamed Khairy, Abbas I. Alakhras y Ahmed A. Farag. "Computational Foretelling and Experimental Implementation of the Performance of Polyacrylic Acid and Polyacrylamide Polymers as Eco-Friendly Corrosion Inhibitors for Copper in Nitric Acid". Polymers 14, n.º 22 (8 de noviembre de 2022): 4802. http://dx.doi.org/10.3390/polym14224802.
Texto completoVillalba-Diez, Javier y Xiaochen Zheng. "Quantum Strategic Organizational Design: Alignment in Industry 4.0 Complex-Networked Cyber-Physical Lean Management Systems". Sensors 20, n.º 20 (16 de octubre de 2020): 5856. http://dx.doi.org/10.3390/s20205856.
Texto completoHu, Youxi, Chao Liu, Ming Zhang, Yu Jia y Yuchun Xu. "A Novel Simulated Annealing-Based Hyper-Heuristic Algorithm for Stochastic Parallel Disassembly Line Balancing in Smart Remanufacturing". Sensors 23, n.º 3 (2 de febrero de 2023): 1652. http://dx.doi.org/10.3390/s23031652.
Texto completoAndrade, Ana, Kennedy Lopes, Bernardo Lima y André Maitelli. "Development of a Methodology Using Artificial Neural Network in the Detection and Diagnosis of Faults for Pneumatic Control Valves". Sensors 21, n.º 3 (27 de enero de 2021): 853. http://dx.doi.org/10.3390/s21030853.
Texto completoMarinov, Marin B., Nikolay Nikolov, Slav Dimitrov, Todor Todorov, Yana Stoyanova y Georgi T. Nikolov. "Linear Interval Approximation for Smart Sensors and IoT Devices". Sensors 22, n.º 3 (26 de enero de 2022): 949. http://dx.doi.org/10.3390/s22030949.
Texto completoYang, Bo, Ni Yang, Dan Zhao, Fengyang Chen, Xingping Yuan, Yanqing Hou y Gang Xie. "Numerical Simulation of a Simplified Reaction Model for the Growth of Graphene via Chemical Vapor Deposition in Vertical Rotating Disk Reactor". Coatings 13, n.º 7 (30 de junio de 2023): 1184. http://dx.doi.org/10.3390/coatings13071184.
Texto completoChesnut, D. B. "Localization function study of excitation processes in a set of small isoelectronic molecules". Journal of Computational Chemistry 22, n.º 14 (2001): 1702–11. http://dx.doi.org/10.1002/jcc.1125.
Texto completoBudziak, Iwona, Marta Arczewska y Daniel M. Kamiński. "Structure and Physical Properties of Cardamonin: A Spectroscopic and Computational Approach". Molecules 25, n.º 18 (6 de septiembre de 2020): 4070. http://dx.doi.org/10.3390/molecules25184070.
Texto completoMoreno, Miquel, José M. Lluch y Ricard Gelabert. "On the Computational Design of Azobenzene-Based Multi-State Photoswitches". International Journal of Molecular Sciences 23, n.º 15 (4 de agosto de 2022): 8690. http://dx.doi.org/10.3390/ijms23158690.
Texto completoAbe, Shigeaki, Yoshinori Nagoya, Fumio Watari y Hiroto Tachikawa. "Evaporation processes of water molecules from graphene edge: DFT and MD study". Computational Materials Science 50, n.º 9 (julio de 2011): 2640–43. http://dx.doi.org/10.1016/j.commatsci.2011.04.009.
Texto completoWilliams, David y Serena Viti. "Modelling interstellar physics and chemistry: implications for surface and solid-state processes". Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 371, n.º 1994 (13 de julio de 2013): 20110587. http://dx.doi.org/10.1098/rsta.2011.0587.
Texto completoLungu, Claudiu N., Violeta Mangalagiu, Ionel I. Mangalagiu y Mihaela C. Mehedinti. "Benzoquinoline Chemical Space: A Helpful Approach in Antibacterial and Anticancer Drug Design". Molecules 28, n.º 3 (20 de enero de 2023): 1069. http://dx.doi.org/10.3390/molecules28031069.
Texto completoCheng, Yu, Si Da Ling, Yuhao Geng, Yundong Wang y Jianhong Xu. "Microfluidic synthesis of quantum dots and their applications in bio-sensing and bio-imaging". Nanoscale Advances 3, n.º 8 (2021): 2180–95. http://dx.doi.org/10.1039/d0na00933d.
Texto completoGimenez-Dejoz, Joan, Katsuhiko Tsunoda, Yasuo Fukushima y Keiji Numata. "Computational study of the interaction between natural rubber α-terminal groups and l-quebrachitol, one of the major components of natural rubber". Polymer Journal 54, n.º 2 (29 de octubre de 2021): 229–33. http://dx.doi.org/10.1038/s41428-021-00569-w.
Texto completoWan, Jing, Yang Li, Jared Benson, Richards Miller, Mikhail Zhernenkov, Guillaume Freychet y Randall L. Headrick. "Dynamic processes in transient phases during self-assembly of organic semiconductor thin films". Molecular Systems Design & Engineering 7, n.º 1 (2022): 34–43. http://dx.doi.org/10.1039/d1me00078k.
Texto completoAbplanalp, Matthew J., Samer Gozem, Anna I. Krylov, Christopher N. Shingledecker, Eric Herbst y Ralf I. Kaiser. "A study of interstellar aldehydes and enols as tracers of a cosmic ray-driven nonequilibrium synthesis of complex organic molecules". Proceedings of the National Academy of Sciences 113, n.º 28 (5 de julio de 2016): 7727–32. http://dx.doi.org/10.1073/pnas.1604426113.
Texto completoChen, Ke-Wei, Yun-Dong Wu y Tian-Yu Sun. "Critical Computational Evidence Regarding the Long-Standing Controversy over the Main Electrophilic Species in Hypochlorous Acid Solution". Molecules 27, n.º 6 (11 de marzo de 2022): 1843. http://dx.doi.org/10.3390/molecules27061843.
Texto completoRoman, Claudia, Miguel Angel Delgado, Liliana Lazar y Moises Garcia-Morales. "Computational design applied to equilibrium-staged and rate-based absorption processes". Revista de Chimie 71, n.º 7 (4 de agosto de 2020): 88–96. http://dx.doi.org/10.37358/rc.20.7.8228.
Texto completoShafranyosh, M. y D. Kish. "Processes of formation of positive ions at the electron - thymine molecule interactions". Bulletin of Taras Shevchenko National University of Kyiv. Series: Physics and Mathematics, n.º 2 (2019): 104–7. http://dx.doi.org/10.17721/1812-5409.2019/2.14.
Texto completoComito, Marziale, Riccardo Monguzzi, Silvia Tagliapietra, Giovanni Palmisano y Giancarlo Cravotto. "Towards Antibiotic Synthesis in Continuous-Flow Processes". Molecules 28, n.º 3 (2 de febrero de 2023): 1421. http://dx.doi.org/10.3390/molecules28031421.
Texto completoLichołai, Sabina, Dorota Studzińska, Hanna Plutecka, Tomasz Gubała y Marek Sanak. "Comprehensive Analysis of Circular RNAs in Endothelial Cells". International Journal of Molecular Sciences 24, n.º 12 (12 de junio de 2023): 10025. http://dx.doi.org/10.3390/ijms241210025.
Texto completoWang, Hangyao, Heather A. G. Stern, Debashis Chakraborty, Hua Bai, Vincent DiFilippo, Jitendra S. Goela, Michael A. Pickering y Julian D. Gale. "Computational Study of Surface Deposition and Gas Phase Powder Formation during Spinel Chemical Vapor Deposition Processes". Industrial & Engineering Chemistry Research 52, n.º 44 (24 de abril de 2013): 15270–80. http://dx.doi.org/10.1021/ie400502u.
Texto completoWang, Linzhu, Junqi Li, Shufeng Yang, Chaoyi Chen, Huixin Jin, Xiang Li, Changling Zhuang y Jiantao Ju. "Industrial experiment study on inclusion evolution in 95CrMo Steel". Metallurgical Research & Technology 116, n.º 5 (2019): 518. http://dx.doi.org/10.1051/metal/2019015.
Texto completoBartolomé, Alejandra, Gema Rodríguez-Moro, Juan-Luis Fuentes, Mariana Lopes, Juana Frontela, Jesús Lázaro, María Cuaresma, José-Luis Gómez-Ariza, Tamara García-Barrera y Carlos Vílchez. "Biodegradation of a Complex Phenolic Industrial Stream by Bacterial Strains Isolated from Industrial Wastewaters". Processes 9, n.º 11 (3 de noviembre de 2021): 1964. http://dx.doi.org/10.3390/pr9111964.
Texto completoBarone, Vincenzo y Cristina Puzzarini. "Looking for the bricks of the life in the interstellar medium: The fascinating world of astrochemistry". EPJ Web of Conferences 246 (2020): 00021. http://dx.doi.org/10.1051/epjconf/202024600021.
Texto completoMEI, YE y JOHN Z. H. ZHANG. "NUMERICAL STABILITIES IN FITTING ATOMIC CHARGES TO ELECTRIC FIELD AND ELECTROSTATIC POTENTIAL". Journal of Theoretical and Computational Chemistry 08, n.º 05 (octubre de 2009): 925–42. http://dx.doi.org/10.1142/s0219633609005295.
Texto completoOnčák, Milan, Rebecca Meißner, Eugene Arthur-Baidoo, Stephan Denifl, Thomas F. M. Luxford, Andriy Pysanenko, Michal Fárník, Jiří Pinkas y Jaroslav Kočišek. "Ring Formation and Hydration Effects in Electron Attachment to Misonidazole". International Journal of Molecular Sciences 20, n.º 18 (6 de septiembre de 2019): 4383. http://dx.doi.org/10.3390/ijms20184383.
Texto completoStefaniu, Amalia y Lucia Camelia Pirvu. "In Silico Study Approach on a Series of 50 Polyphenolic Compounds in Plants; A Comparison on the Bioavailability and Bioactivity Data". Molecules 27, n.º 4 (19 de febrero de 2022): 1413. http://dx.doi.org/10.3390/molecules27041413.
Texto completoAhmed, Aftab, Sajid-ur Rehman, Syeda Abida Ejaz, Aamer Saeed, Rabail Ujan, Pervaiz Ali Channar, Khalida Mahar et al. "Exploring 2-Tetradecanoylimino-3-aryl-4-methyl-1,3-thiazolines Derivatives as Alkaline Phosphatase Inhibitors: Biochemical Evaluation and Computational Analysis". Molecules 27, n.º 19 (10 de octubre de 2022): 6766. http://dx.doi.org/10.3390/molecules27196766.
Texto completoLI, XIN y ZHONG-ZHI YANG. "AN AB INITIO STUDY OF PROTON-TRANSFER REACTION IN Be2+(H2O)n AND THE SPATIAL CHANGING FEATURE IN THE FORMATION PROCESS OF HYDROXIDE". Journal of Theoretical and Computational Chemistry 05, n.º 01 (marzo de 2006): 75–85. http://dx.doi.org/10.1142/s0219633606002064.
Texto completoSchmidt, Martin, Stefan Zahn, Florian Gehlhaar, Andrea Prager, Jan Griebel, Axel Kahnt, Wolfgang Knolle, Robert Konieczny, Roger Gläser y Agnes Schulze. "Radiation-Induced Graft Immobilization (RIGI): Covalent Binding of Non-Vinyl Compounds on Polymer Membranes". Polymers 13, n.º 11 (2 de junio de 2021): 1849. http://dx.doi.org/10.3390/polym13111849.
Texto completoTrebuna, Peter, Miriam Pekarcikova, Richard Duda y Tomas Svantner. "Virtual Reality in Discrete Event Simulation for Production–Assembly Processes". Applied Sciences 13, n.º 9 (27 de abril de 2023): 5469. http://dx.doi.org/10.3390/app13095469.
Texto completoSalamonowicz, Zdzislaw, Andrzej Krauze, Malgorzata Majder-Lopatka, Anna Dmochowska, Aleksandra Piechota-Polanczyk y Andrzej Polanczyk. "Numerical Reconstruction of Hazardous Zones after the Release of Flammable Gases during Industrial Processes". Processes 9, n.º 2 (6 de febrero de 2021): 307. http://dx.doi.org/10.3390/pr9020307.
Texto completoKumar, Rupesh, Maged Mostafa Mahmoud, Hanaa M. Tashkandi, Shafiul Haque, Steve Harakeh, Kalaiarasan Ponnusamy y Shazia Haider. "Combinatorial Network of Transcriptional and miRNA Regulation in Colorectal Cancer". International Journal of Molecular Sciences 24, n.º 6 (10 de marzo de 2023): 5356. http://dx.doi.org/10.3390/ijms24065356.
Texto completoKim, Hongdeok, Byeonghwa Goh, Sol Lee, Kyujo Lee y Joonmyung Choi. "Computational Study on Interfacial Interactions between Polymethyl Methacrylate-Based Bone Cement and Hydroxyapatite in Nanoscale". Applied Sciences 11, n.º 7 (25 de marzo de 2021): 2937. http://dx.doi.org/10.3390/app11072937.
Texto completoBukowski, Brandon C., Frerich J. Keil, Peter I. Ravikovitch, German Sastre, Randall Q. Snurr y Marc-Olivier Coppens. "Connecting theory and simulation with experiment for the study of diffusion in nanoporous solids". Adsorption 27, n.º 5 (22 de abril de 2021): 683–760. http://dx.doi.org/10.1007/s10450-021-00314-y.
Texto completoAltin, Ozan, Dagbjørn Skipnes, Torstein Skåra y Ferruh Erdogdu. "A computational study for the effects of sample movement and cavity geometry in industrial scale continuous microwave systems during heating and thawing processes". Innovative Food Science & Emerging Technologies 77 (mayo de 2022): 102953. http://dx.doi.org/10.1016/j.ifset.2022.102953.
Texto completoCaseiro, Catarina, Joana Nunes Ribeiro Dias, Carlos Mendes Godinho de Andrade Fontes y Pedro Bule. "From Cancer Therapy to Winemaking: The Molecular Structure and Applications of β-Glucans and β-1, 3-Glucanases". International Journal of Molecular Sciences 23, n.º 6 (15 de marzo de 2022): 3156. http://dx.doi.org/10.3390/ijms23063156.
Texto completoRAMALHO, TEODORICO C., ELAINE F. F. DA CUNHA y RICARDO BICCA DE ALENCASTRO. "THEORETICAL STUDY OF ADIABATIC AND VERTICAL ELECTRON AFFINITY OF RADIOSENSITIZERS IN SOLUTION PART 2: ANALOGUES OF TIRAPAZAMINE". Journal of Theoretical and Computational Chemistry 03, n.º 01 (marzo de 2004): 1–13. http://dx.doi.org/10.1142/s0219633604000866.
Texto completoLo Giudice, Valentina, Immacolata Faraone, Maria Roberta Bruno, Maria Ponticelli, Fabiana Labanca, Donatella Bisaccia, Carmine Massarelli, Luigi Milella y Luigi Todaro. "Olive Trees By-Products as Sources of Bioactive and Other Industrially Useful Compounds: A Systematic Review". Molecules 26, n.º 16 (22 de agosto de 2021): 5081. http://dx.doi.org/10.3390/molecules26165081.
Texto completoLevine, Benjamin G., Michael P. Esch, B. Scott Fales, Dylan T. Hardwick, Wei-Tao Peng y Yinan Shu. "Conical Intersections at the Nanoscale: Molecular Ideas for Materials". Annual Review of Physical Chemistry 70, n.º 1 (14 de junio de 2019): 21–43. http://dx.doi.org/10.1146/annurev-physchem-042018-052425.
Texto completoBurlini, Ilaria y Gianni Sacchetti. "Secondary Bioactive Metabolites from Plant-Derived Food Byproducts through Ecopharmacognostic Approaches: A Bound Phenolic Case Study". Plants 9, n.º 9 (19 de agosto de 2020): 1060. http://dx.doi.org/10.3390/plants9091060.
Texto completoMeacci, Luca, Gustavo C. Buscaglia, Fernando Mut, Roberto F. Ausas y Mario Primicerio. "A new two-component approach in modeling red blood cells". Communications in Applied and Industrial Mathematics 11, n.º 1 (1 de enero de 2020): 55–71. http://dx.doi.org/10.1515/caim-2020-0004.
Texto completoMeacci, Luca, Gustavo C. Buscaglia, Fernando Mut, Roberto F. Ausas y Mario Primicerio. "A new two-component approach in modeling red blood cells". Communications in Applied and Industrial Mathematics 11, n.º 1 (1 de enero de 2020): 55–71. http://dx.doi.org/10.2478/caim-2020-0004.
Texto completoMatica, Mariana, Diana Roman, Vasile Ostafe y Adriana Isvoran. "Deeper inside the use of chitooligosaccharides in wound healing process: A computational approach". Journal of the Serbian Chemical Society, n.º 00 (2022): 81. http://dx.doi.org/10.2298/jsc220702081m.
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