Search results for "Zeolites"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
36	Chrysanthos E. Gounaris, James Wei, Christodoulos A. Floudas	Shape Selective Zeolite Separation and Catalysis: Optimization Methods.	Encyclopedia of Optimization	2009	DBLP DOI BibTeX RDF	Catalysis, Molecular sieves, Supramolecular chemistry, Zeolites, Selectivity, Separations
33	Shujiang Yang, Mohammed Lach-hab, Iosif I. Vaisman, Estela Blaisten-Barojas	A Cheminformatics Approach for Zeolite Framework Determination.	ICCS (2)	2009	DBLP DOI BibTeX RDF
30	Marko Petkovic, José Manuel Vicent-Luna, Vlado Menkovski, Sofía Calero	Graph Neural Networks for Carbon Dioxide Adsorption Prediction in Aluminium-Exchanged Zeolites.	CoRR	2024	DBLP DOI BibTeX RDF
30	Daniel Schwalbe-Koda, Daniel E. Widdowson, Tuan Anh Pham, Vitaliy A. Kurlin	Inorganic synthesis-structure maps in zeolites with machine learning and crystallographic distances.	CoRR	2023	DBLP DOI BibTeX RDF
30	Robin Gaumard, Dominik Dragún, Jesús N. Pedroza-Montero, Bruno Alonso, Hazar Guesmi, Irina Malkin Ondík, Tzonka Mineva	Regression Machine Learning Models Used to Predict DFT-Computed NMR Parameters of Zeolites.	Comput.	2022	DBLP DOI BibTeX RDF
30	Fabian Natanael Murrieta-Rico, Lars Lindner, Vitalii Petranovskii, Donald H. Galván, Joel Antúnez-Garcia, Rosario I. Yocupicio-Gaxiola, Oleg Sergiyenko, Moises Rivas-López	Zeolites with quantum dots as functional materials: current trends and perspectives for optical devices.	ISIE	2021	DBLP DOI BibTeX RDF
30	María Gálvez-Llompart, Jorge Gálvez, Fernando Rey, German Sastre	Identification of New Templates for the Synthesis of BEA, BEC, and ISV Zeolites Using Molecular Topology and Monte Carlo Techniques.	J. Chem. Inf. Model.	2020	DBLP DOI BibTeX RDF
30	Naveen K. Dandu, Olajumoke Adeyiga, Dipak Panthi, Shaina A. Bird, Samuel O. Odoh	Performance of density functional theory for describing hetero-metallic active-site motifs for methane-to-methanol conversion in metal-exchanged zeolites.	J. Comput. Chem.	2018	DBLP DOI BibTeX RDF
30	Hossein Rezaei, Mahmoud Rahmati, Hamid Modarress	Application of ANFIS and MLR models for prediction of methane adsorption on X and Y faujasite zeolites: effect of cations substitution.	Neural Comput. Appl.	2017	DBLP DOI BibTeX RDF
30	Omar Abdelkafi, Lhassane Idoumghar, Julien Lepagnot, Jean-Louis Paillaud	MEmory Genetic Algorithm Hybridized for Zeolites.	CEC	2017	DBLP DOI BibTeX RDF
30	Tingting Liu, Eric L. First, M. M. Faruque Hasan, Christodoulos A. Floudas	A multi-scale approach for the discovery of zeolites for hydrogen sulfide removal.	Comput. Chem. Eng.	2016	DBLP DOI BibTeX RDF
30	Tingting Liu, Eric L. First, M. M. Faruque Hasan, Christodoulos A. Floudas	Corrigendum to "A multi-scale approach for the discovery of zeolites for hydrogen sulfide removal" [Comput. Chem. Eng. (2016)].	Comput. Chem. Eng.	2016	DBLP DOI BibTeX RDF
30	Matteo Signorile, Alessandro Damin, Francesca Bonino, Valentina Crocellà, Carlo Lamberti, Silvia Bordiga	The role of dispersive forces determining the energetics of adsorption in Ti zeolites.	J. Comput. Chem.	2016	DBLP DOI BibTeX RDF
30	Sudhir K. Sahoo, Nisanth N. Nair	A potential with low point charges for pure siliceous zeolites.	J. Comput. Chem.	2015	DBLP DOI BibTeX RDF
30	Peirong Chen, Simon Schönebaum, Thomas Simons, Dieter Rauch, Markus Dietrich, Ralf Moos, Ulrich Simon	Correlating the Integral Sensing Properties of Zeolites with Molecular Processes by Combining Broadband Impedance and DRIFT Spectroscopy - A New Approach for Bridging the Scales.	Sensors	2015	DBLP DOI BibTeX RDF
30	Yangong Zheng, Xiaogan Li, Prabir K. Dutta	Exploitation of Unique Properties of Zeolites in the Development of Gas Sensors.	Sensors	2012	DBLP DOI BibTeX RDF
30	Melkon Tatlier	Artificial neural network methods for the prediction of framework crystal structures of zeolites from XRD data.	Neural Comput. Appl.	2011	DBLP DOI BibTeX RDF
30	Alexander V. Larin	Point atomic multipole moments for simulation of electrostatic potential and field in all-siliceous zeolites.	J. Comput. Chem.	2011	DBLP DOI BibTeX RDF
30	Tibor Jordán	Generically globally rigid zeolites in the plane.	Inf. Process. Lett.	2010	DBLP DOI BibTeX RDF
30	Alexander V. Larin, G. M. Zhidomirov, D. N. Trubnikov, Daniel P. Vercauteren	Ion-exchanged binuclear Ca2OX clusters, X = 1-4, as active sites of selective oxidation over MOR and FAU zeolites.	J. Comput. Chem.	2010	DBLP DOI BibTeX RDF
30	Alexander V. Larin, D. N. Trubnikov, Daniel P. Vercauteren	Electric field convergence versus atomic basis sets in all-siliceous zeolites.	J. Comput. Chem.	2008	DBLP DOI BibTeX RDF
30	Duangkamol Tantanak, Jumras Limtrakul, Matthew Paul Gleeson	Probing the Structural and Electronic Factors Affecting the Adsorption and Reactivity of Alkenes in Acidic Zeolites Using DFT Calculations and Multivariate Statistical Methods.	J. Chem. Inf. Model.	2005	DBLP DOI BibTeX RDF
30	S. P. Patil, Ganapati D. Yadav	Selective acylation of 2 methoxynaphthalene by large pore zeolites: catalyst selection through molecular modeling.	Comput. Biol. Chem.	2003	DBLP DOI BibTeX RDF
30	Jan Sefcik, Ersan Demiralp, Tahir Çagin, William A. Goddard III	Dynamic Charge Equilibration-Morse stretch force field: Application to energetics of pure silica zeolites.	J. Comput. Chem.	2002	DBLP DOI BibTeX RDF
30	Joachim Petit, Jure Zupan, Laurence Leherte, Daniel P. Vercauteren	Application of a Kohonen Neural Network to the Analysis of Data Regarding the Alkylation of Toluene with Methanol Catalyzed by ZSM-5Type Zeolites.	Comput. Chem.	2002	DBLP DOI BibTeX RDF
30	Frederik J. Tielens, Wilfried Langenaeker, Ahmet R. Ocakoglu, Paul Geerlings	Quantum chemical calculation of Henry constants of diatomic molecules in faujasite-type zeolites.	J. Comput. Chem.	2000	DBLP DOI BibTeX RDF