Search results for "Catalysis"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
109	Radford M. Neal	Classification with Bayesian Neural Networks.	MLCW	2005	DBLP DOI BibTeX RDF
89	Juliana Küster Filipe, Kung-Kiu Lau, Mario Ornaghi, Kenji Taguchi 0001, Hirokazu Yatsu, Alan Wills	Formal specification of Catalysis frameworks.	APSEC	2000	DBLP DOI BibTeX RDF	Catalysis frameworks, informal description, framework composition, formal specification, formal specification, software reuse, software reusability, object-oriented methods, component-based software development, subroutines, formal reasoning
59	Shui Ming Ho, Kung-Kiu Lau	On the Implementation of Catalysis Frameworks in COM.	APSEC	2001	DBLP DOI BibTeX RDF
52	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
45	Gregori Ujaque, Dean J. Tantillo, Yunfeng Hu, Kendall N. Houk, Kinya Hotta, Donald Hilvert	Catalysis on the coastline: Theozyme, molecular dynamics, and free energy perturbation analysis of antibody 21D8 catalysis of the decarboxylation of 5-nitro-3-carboxybenzisoxazole.	J. Comput. Chem.	2003	DBLP DOI BibTeX RDF
41	A. P. J. Jansen, C. G. M. Hermse, F. Frechard, Johan J. Lukkien	Ab-Initio Kinetics of Heterogeneous Catalysis: NO+N+O/Rh(111).	International Conference on Computational Science (1)	2001	DBLP DOI BibTeX RDF
41	Alan Cameron Wills	Catalysis: Precision Modeling and Design for Components.	TOOLS (29)	1999	DBLP DOI BibTeX RDF
36	Leonardo Bobadilla, Fernando Niño, Edilberto Cepeda, Manuel A. Patarroyo	Characterizing and Predicting Catalytic Residues in Enzyme Active Sites Based on Local Properties: A Machine Learning Approach.	BIBE	2007	DBLP DOI BibTeX RDF
36	Runyao Duan, Yuan Feng 0001, Mingsheng Ying	Partial Recovery of Quantum Entanglement.	IEEE Trans. Inf. Theory	2006	DBLP DOI BibTeX RDF
29	Lam-Son Lê, Alain Wegmann	Definition of an Object-Oriented Modeling Language for Enterprise Architecture.	HICSS	2005	DBLP DOI BibTeX RDF	Catalysis, hierarchical object-oriented model, Living System Theory, enterprise architecture, system engineering, modeling language, RM-ODP
29	Itana Maria de Souza Gimenes, Sergio A. Tanaka, José Palazzo Moreira de Oliveira	An Object Oriented Framework for Task Scheduling.	TOOLS (33)	2000	DBLP DOI BibTeX RDF	Catalysis, workflow management systems, software engineering environments, model frameworks
23	Jawad Chowdhury, Charles Fricke, Olajide Bamidele, Mubarak Bello, Wenqiang Yang, Andreas Heyden, Gabriel Terejanu	Invariant Molecular Representations for Heterogeneous Catalysis.	J. Chem. Inf. Model.	2024	DBLP DOI BibTeX RDF
23	André Von-Held Soares, Housam Binous, Fernando Cunha Peixoto, Ahmed Bellagi	Solving boundary value problems in heterogeneous catalysis with orthogonal collocation and arc-length continuation.	Comput. Appl. Eng. Educ.	2024	DBLP DOI BibTeX RDF
23	Janghoon Ock, Rishikesh Magar, Akshay Antony, Amir Barati Farimani	Multimodal Language and Graph Learning of Adsorption Configuration in Catalysis.	CoRR	2024	DBLP DOI BibTeX RDF
23	Alexander S. Behr, Hendrik Borgelt, Norbert Kockmann	Ontologies4Cat: investigating the landscape of ontologies for catalysis research data management.	J. Cheminformatics	2024	DBLP DOI BibTeX RDF
23	Bowen Wang, Chen Liang, Jiaze Wang, Jiezhong Qiu, Furui Liu, Shaogang Hao, Dong Li, Guangyong Chen, Xiaolong Zou, Pheng-Ann Heng	DR-Label: Label Deconstruction and Reconstruction of GNN Models for Catalysis Systems.	AAAI	2024	DBLP DOI BibTeX RDF
23	Christine Y. Yeh, Jesus A. Izaguirre, Jack B. Greisman, Lindsay Willmore, Paul Maragakis, David E. Shaw	A Conserved Local Structural Motif Controls the Kinetics of PTP1B Catalysis.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
23	Siddhant M. Lambor, Sashank Kasiraju, Dionisios G. Vlachos	CKineticsDB─An Extensible and FAIR Data Management Framework and Datahub for Multiscale Modeling in Heterogeneous Catalysis.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
23	Daniel Platero-Rochart, Tatyana Krivobokova, Michael Gastegger, Gilbert Reibnegger, Pedro A. Sánchez-Murcia	Prediction of Enzyme Catalysis by Computing Reaction Energy Barriers via Steered QM/MM Molecular Dynamics Simulations and Machine Learning.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
23	Jon Uranga, Ricardo A. Mata	The Catalytic Mechanism of Acetoacetate Decarboxylase: A Detailed Study of Schiff Base Formation, Protonation States, and Their Impact on Catalysis.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
23	Kaitlin McCardle	Accounting for quantum effects in catalysis.	Nat. Comput. Sci.	2023	DBLP DOI BibTeX RDF
23	Lukás Korel, Uladzislau Yorsh, Alexander S. Behr, Norbert Kockmann, Martin Holena	Text-to-Ontology Mapping via Natural Language Processing with Application to Search for Relevant Ontologies in Catalysis.	Comput.	2023	DBLP DOI BibTeX RDF
23	Bowen Deng	Catalysis distillation neural network for the few shot open catalyst challenge.	CoRR	2023	DBLP DOI BibTeX RDF
23	Bowen Wang, Chen Liang, Jiaze Wang, Furui Liu, Shaogang Hao, Dong Li 0016, Jianye Hao, Guangyong Chen, Xiaolong Zou, Pheng-Ann Heng	DR-Label: Improving GNN Models for Catalysis Systems by Label Deconstruction and Reconstruction.	CoRR	2023	DBLP DOI BibTeX RDF
23	Goncagül Serdaroglu, Nesimi Uludag, Elvan Üstün	An efficient new method of ytterbium(III) triflate catalysis approach to the synthesis of substituted pyrroles: DFT, ADMET, and molecular docking investigations.	Comput. Biol. Chem.	2023	DBLP DOI BibTeX RDF
23	Lauritz van Luijk, Reinhard F. Werner, Henrik Wilming	Covariant catalysis requires correlations and good quantum reference frames degrade little.	Quantum	2023	DBLP DOI BibTeX RDF
23	Yingying Shi, Ningning Zhang, Jiajie Liu, Junbin Wang, Shuhui Shen, Jingxiang Zhang, Xiaoli An, Qingzong Si	Preparation of Nanocomposites for Antibacterial Orthodontic Invisible Appliance Based on Piezoelectric Catalysis.	Sensors	2023	DBLP DOI BibTeX RDF
23	Songling Yang, Ziwei Lv, Tingli Liu, Mengwei Liu	"Technology Finance Policies and Enterprise Innovation "Lemon Effect" : Catalysis or Inhibition".	ICEME	2023	DBLP DOI BibTeX RDF
23	Alexander S. Behr, Hendrik Borgelt, Taras Petrenko, Mark Dörr, Norbert Kockmann	Investigating the Landscape of Ontologies for Catalysis Research Data Management.	CoRDI	2023	DBLP DOI BibTeX RDF
23	Rinu Chacko, Hendrik Gossler, Johannes Riedel, Stephan Schunk, Olaf Deutschmann	Digitalization in Catalysis and Reaction Engineering: Automatizing Work Flows.	CoRDI	2023	DBLP DOI BibTeX RDF
23	Paolo Dolcet, Mariam L. Schulte, Florian Maurer 0006, Nicole Jung, Rinu Chacko, Olaf Deutschmann, Jan-Dierk Grunwaldt	LabIMotion Electronic Lab Notebook as Research Data Management Tool in Catalysis.	CoRDI	2023	DBLP DOI BibTeX RDF
23	Albert Sabadell Rendón	Interpretable models to explain Heterogeneous Catalysis		2023	RDF
23	Chiara Costabile, Stefania Pragliola, Fabia Grisi	C2-Symmetric N-Heterocyclic Carbenes in Asymmetric Transition-Metal Catalysis.	Symmetry	2022	DBLP DOI BibTeX RDF
23	Yue Zhang, Cong Wang, Mya Soukaseum, Dionisios G. Vlachos, Hui Fang 0001	Unleashing the Power of Knowledge Extraction from Scientific Literature in Catalysis.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
23	Rui P. P. Neves, Pedro Alexandrino Fernandes, Maria João Ramos	Role of Enzyme and Active Site Conformational Dynamics in the Catalysis by α-Amylase Explored with QM/MM Molecular Dynamics.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
23	Samuel J. H. Gaughan, Jonathan D. Hirst, Anna K. Croft, Christof M. Jäger	Effect of Oriented Electric Fields on Biologically Relevant Iron-Sulfur Clusters: Tuning Redox Reactivity for Catalysis.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
23	Marko Hanzevacki, Anna K. Croft, Christof M. Jäger	Activation of Glycyl Radical Enzymes─Multiscale Modeling Insights into Catalysis and Radical Control in a Pyruvate Formate-Lyase-Activating Enzyme.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
23	Chenru Duan, Aditya Nandy, Husain Adamji, Yuriy Román-Leshkov, Heather J. Kulik	Machine learning models predict calculation outcomes with the transferability necessary for computational catalysis.	CoRR	2022	DBLP DOI BibTeX RDF
23	Sagnik Sarkar, Shaashwat Agrawal, Thar Baker, Praveen Kumar Reddy Maddikunta, Thippa Reddy Gadekallu	Catalysis of neural activation functions: Adaptive feed-forward training for big data applications.	Appl. Intell.	2022	DBLP DOI BibTeX RDF
23	Abraham Nieva de la Hidalga, Donato Decarolis, Shaojun Xu, Santhosh Matam, Willinton Yesid Hernández Enciso, Josephine Goodall, Brian Matthews, C. Richard A. Catlow	A Workflow Demonstrator for Processing Catalysis Research Data.	Data Intell.	2022	DBLP DOI BibTeX RDF
23	Zhennan Wen, Yougen Yi, Xiaowen Xu, Ying Guo	Continuous-variable quantum teleportation with entanglement enabled via photon catalysis.	Quantum Inf. Process.	2022	DBLP DOI BibTeX RDF
23	Sergio Pablo García Carrillo	More is Different: Modern Computational Modeling for Heterogeneous Catalysis.		2022	RDF
23	Soichi Kikkawa, Mio Tsukada, Kanako Shibata, Yu Fujiki, Kazuki Shibusawa, Jun Hirayama, Naoki Nakatani, Takafumi Yamamoto, Seiji Yamazoe	Base Catalysis of Sodium Salts of [Ta6-xNbxO19]8- Mixed-Oxide Clusters.	Symmetry	2021	DBLP DOI BibTeX RDF
23	Zhiqiang Liu, Wentao Zhou	Application of Artificial Neural Networks for Catalysis.	CoRR	2021	DBLP BibTeX RDF
23	Junkai Hu, Qin Liao, Yun Mao, Ying Guo	Performance improvement of unidimensional continuous-variable quantum key distribution using zero-photon quantum catalysis.	Quantum Inf. Process.	2021	DBLP DOI BibTeX RDF
23	Ecaterina Magdalena Modan, Catalin Marian Ducu, Carmen Mihaela Topala, Sorin Georgian Moga, Aurelian Denis Negrea	Chemical synthesis of iron oxide particles of catalysis.	ECAI	2021	DBLP DOI BibTeX RDF
23	Haruhiko Yamasaki, Kohei Kishimoto, Takumi Shimada, Tomoyuki Kuroki, Jinkyu Kang, Dongwook Kim, Tadao Yagi, Masaaki Okubo	Toward Ideal VOCs and Nanoparticle Emission Control Technology Using a Wet-Type Catalysis Nonthermal Plasma Reactor.	IAS	2021	DBLP DOI BibTeX RDF
23	David Ho, Albert S. Shkolnik, Neil J. Ferraro, Benjamin A. Rizkin, Ryan L. Hartman	Using word embeddings in abstracts to accelerate metallocene catalysis polymerization research.	Comput. Chem. Eng.	2020	DBLP DOI BibTeX RDF
23	Rosaria Ciriminna, Irina L. Simakova, Mario Pagliaro, Dmitry Yu Murzin	A Scientometric Analysis of Catalysis Research.	J. Sci. Res.	2020	DBLP DOI BibTeX RDF
23	Newlyn N. Joseph, Raktim N. Roy, Thomas A. Steitz	Molecular dynamics analysis of Mg2+-dependent cleavage of a pistol ribozyme reveals a fail-safe secondary ion for catalysis.	J. Comput. Chem.	2020	DBLP DOI BibTeX RDF
23	Igor Barden Grillo, Gabriel Aires Urquiza-Carvalho, José Fernando Ruggiero Bachega, Gerd Bruno Rocha	Elucidating Enzymatic Catalysis Using Fast Quantum Chemical Descriptors.	J. Chem. Inf. Model.	2020	DBLP DOI BibTeX RDF
23	Vera von Burg, Guang Hao Low, Thomas Häner, Damian S. Steiger, Markus Reiher, Martin Roetteler, Matthias Troyer	Quantum computing enhanced computational catalysis.	CoRR	2020	DBLP DOI BibTeX RDF
23	Yuang Wang, Shanhua Zou, Yun Mao, Ying Guo	Improving Underwater Continuous-Variable Measurement-Device-Independent Quantum Key Distribution via Zero-Photon Catalysis.	Entropy	2020	DBLP DOI BibTeX RDF
23	Xiaodong Wu, Yijun Wang, Hai Zhong, Wei Ye, Duan Huang, Ying Guo	Performance improvement of plug-and-play dual-phase-modulated continuous-variable quantum key distribution with quantum catalysis.	Quantum Inf. Process.	2020	DBLP DOI BibTeX RDF
23	Wei Ye, Hai Zhong, Xiaodong Wu, Liyun Hu, Ying Guo	Continuous-variable measurement-device-independent quantum key distribution via quantum catalysis.	Quantum Inf. Process.	2020	DBLP DOI BibTeX RDF
23	Olga Andreeva, Wei Li 0121, Wei Ding 0003, Marieke L. Kuijjer, John Quackenbush, Ping Chen 0001	Catalysis Clustering with GAN by Incorporating Domain Knowledge.	KDD	2020	DBLP DOI BibTeX RDF
23	Mohammed Amine Merzougui, Rachid Janati-Idrissi, Mohamed Dakkach, Mourad Madrane, Mohammed Laafou, Fernando Aguilar	Towards an Innovative Learning of Chemical and Enzymatic Catalysis for Moroccan Secondary Students.	ICEUTE	2020	DBLP DOI BibTeX RDF
23	Asja A. Kroeger, Amir Karton	A computational foray into the mechanism and catalysis of the adduct formation reaction of guanine with crotonaldehyde.	J. Comput. Chem.	2019	DBLP DOI BibTeX RDF
23	Qing Wang, Mingxing Fu, Xiaojun Li, Runfeng Huang, Rainer E. Glaser, Lili Zhao	Aluminum alkoxy-catalyzed biomass conversion of glucose to 5-hydroxymethylfurfural: Mechanistic study of the cooperative bifunctional catalysis.	J. Comput. Chem.	2019	DBLP DOI BibTeX RDF
23	Shuaifei Guo, Cuihong Sun, Lingpeng Meng, Yanli Zeng	The mechanism of ring-opening polymerization of L-lactide by ICl3 catalysts: Halogen bond catalysis or participating in reactions?	J. Comput. Chem.	2019	DBLP DOI BibTeX RDF
23	Andrew S. Rosen, Justin M. Notestein, Randall Q. Snurr	Identifying promising metal-organic frameworks for heterogeneous catalysis via high-throughput periodic density functional theory.	J. Comput. Chem.	2019	DBLP DOI BibTeX RDF
23	Valerii A. Pavlov, Yaroslav V. Shushenachev, Sergey G. Zlotin	Сhiral and Racemic Fields Concept for Understanding of the Homochirality Origin, Asymmetric Catalysis, Chiral Superstructure Formation from Achiral Molecules, and B-Z DNA Conformational Transition.	Symmetry	2019	DBLP DOI BibTeX RDF
23	Alvaro Alfayate, Carlos Rodriguez Caceres, Helena G. Dos Santos, Ugo Bastolla	Predicted dynamical couplings of protein residues characterize catalysis, transport and allostery.	Bioinform.	2019	DBLP DOI BibTeX RDF
23	Asif J. Chowdhury, Wenqiang Yang, Kareem E. Abdelfatah, Mehdi Zare, Andreas Heyden, Gabriel Terejanu	A Multiple Filter Based Neural Network Approach to the Extrapolation of Adsorption Energies on Metal Surfaces for Catalysis Applications.	CoRR	2019	DBLP BibTeX RDF
23	Martin Hangaard Hansen, José A. Garrido Torres, Paul C. Jennings, Ziyun Wang, Jacob R. Boes, Osman G. Mamun, Thomas Bligaard	An Atomistic Machine Learning Package for Surface Science and Catalysis.	CoRR	2019	DBLP BibTeX RDF
23	Louis Hollande	Acide férulique, glycérol, acides gras et (bio-)catalyse : une combinaison efficace pour la production de nouveaux antioxydants polyphénoliques et résines époxy. (Ferulic acid, glycerol, fatty acids and (bio-)catalysis : an effective combination for the production of new polyphenolic antioxidants and epoxy resins).		2019	RDF
23	Andrés M. Escorcia, Jeaphianne P. M. van Rijn, Gui-Juan Cheng, Patrick Schrepfer, Thomas B. Brück, Walter Thiel	Molecular dynamics study of taxadiene synthase catalysis.	J. Comput. Chem.	2018	DBLP DOI BibTeX RDF
23	K. K. Kalninsh, L. P. Pavlova	Vivifying properties of water in the light of new concepts of catalysis.	Int. J. Gen. Syst.	2015	DBLP DOI BibTeX RDF
23	Giulia Palermo, Inga Bauer, Pablo Campomanes, Andrea Cavalli, Andrea Armirotti, Stefania Girotto, Ursula Rothlisberger, Marco de Vivo	Keys to Lipid Selection in Fatty Acid Amide Hydrolase Catalysis: Structural Flexibility, Gating Residues and Multiple Binding Pockets.	PLoS Comput. Biol.	2015	DBLP DOI BibTeX RDF
23	Doreen Mollenhauer, Nicola Gaston	A balanced procedure for the treatment of cluster-ligand interactions on gold phosphine systems in catalysis.	J. Comput. Chem.	2014	DBLP DOI BibTeX RDF
23	Gérard Simonneaux, Hassan Srour, Paul Le Maux, Soizic Chevance, Daniel Carrie	Metalloporphyrin Symmetry in Chiral Recognition and Enantioselective Catalysis.	Symmetry	2014	DBLP DOI BibTeX RDF
23	Wim Hordijk, Leonard Hasenclever, Jie Gao, Dilyana Mincheva, Jotun Hein	An investigation into irreducible autocatalytic sets and power law distributed catalysis.	Nat. Comput.	2014	DBLP DOI BibTeX RDF
23	Luis Morales-Quintana, María Ximena Nuñez-Tobar, María Alejandra Moya-León, Raúl Herrera	Molecular Dynamics Simulation and Site-Directed Mutagenesis of Alcohol Acyltransferase: A Proposed Mechanism of Catalysis.	J. Chem. Inf. Model.	2013	DBLP DOI BibTeX RDF
23	Murat Çetinbas, Eugene I. Shakhnovich	Catalysis of Protein Folding by Chaperones Accelerates Evolutionary Dynamics in Adapting Cell Populations.	PLoS Comput. Biol.	2013	DBLP DOI BibTeX RDF
23	Patrick M. Buck, Sandeep Kumar, Satish Kumar Singh	On the Role of Aggregation Prone Regions in Protein Evolution, Stability, and Enzymatic Catalysis: Insights from Diverse Analyses.	PLoS Comput. Biol.	2013	DBLP DOI BibTeX RDF
23	Omer Markovitch, Doron Lancet	Excess Mutual Catalysis Is Required for Effective Evolvability.	Artif. Life	2012	DBLP DOI BibTeX RDF
23	Jan-Oliver Janda, Markus Busch, Fabian Kück, Mikhail Porfenenko, Rainer Merkl	CLIPS-1D: analysis of multiple sequence alignments to deduce for residue-positions a role in catalysis, ligand-binding, or protein structure.	BMC Bioinform.	2012	DBLP DOI BibTeX RDF
23	Carlo Canepa	Reply to the comment on "A stationary-wave model of enzyme catalysis".	J. Comput. Chem.	2011	DBLP DOI BibTeX RDF
23	Richard Lonsdale, Jeremy N. Harvey, Frederick R. Manby, Adrian J. Mulholland	Comment on "A stationary-wave model of enzyme catalysis" by Carlo Canepa.	J. Comput. Chem.	2011	DBLP DOI BibTeX RDF
23	Ralf Steinmetz, André König	Simulations, models, and testbeds: A mutual catalysis.	Perform. Evaluation	2011	DBLP DOI BibTeX RDF
23	Dechao Li, Zhong-Ke Shi	Catalysis of entanglement transformation for 2 × 2-dimensional mixed states.	Quantum Inf. Process.	2011	DBLP DOI BibTeX RDF
23	Carlo Canepa	A stationary-wave model of enzyme catalysis.	J. Comput. Chem.	2010	DBLP DOI BibTeX RDF
23	Rodrick Wallace	Tunable epigenetic catalysis: programming real-time cognitive machines.	Int. J. Parallel Emergent Distributed Syst.	2010	DBLP DOI BibTeX RDF
23	Julia D. Fischer, Gemma L. Holliday, Janet M. Thornton	The CoFactor database: organic cofactors in enzyme catalysis.	Bioinform.	2010	DBLP DOI BibTeX RDF
23	Anton Kokalj	Computer-Aided Design of the Reaction Site in Heterogeneous Catalysis.	Encyclopedia of Complexity and Systems Science	2009	DBLP DOI BibTeX RDF
23	Chao Deng, Xiao-Peng Wu, Xiao-Ming Sun, Yi Ren, Ying-Hong Sheng	Neutral hydrolyses of carbon disulfide: An ab initio study of water catalysis.	J. Comput. Chem.	2009	DBLP DOI BibTeX RDF
23	Rodrick Wallace, Deborah Wallace	Code, Context, and Epigenetic Catalysis in Gene Expression.	Trans. Comp. Sys. Biology	2009	DBLP DOI BibTeX RDF
23	André Fischer, Nils Enkler, Gerd Neudert, Marco Bocola, Reinhard Sterner, Rainer Merkl	TransCent: Computational enzyme design by transferring active sites and considering constraints relevant for catalysis.	BMC Bioinform.	2009	DBLP DOI BibTeX RDF
23	Claudia Andreini, Ivano Bertini, Gabriele Cavallaro, Gemma L. Holliday, Janet M. Thornton	Metal-MACiE: a database of metals involved in biological catalysis.	Bioinform.	2009	DBLP DOI BibTeX RDF
23	Xiaoxia Han, Gang Xie 0001, Keming Xie, Jun Ren	Heterogeneous Catalysis Modeling Strategy Integrating Support Vector Regression and Chaotic Particle Swarm Optimization Algorithm.	CIS (2)	2009	DBLP DOI BibTeX RDF
23	Christopher M. Frenz	The Role of Protein Electrostatics in Facilitating the Catalysis of DEAD-box Proteins.	BIOCOMP	2008	DBLP BibTeX RDF
23	Sílvia Pereira	Chemometric Optimization Studies in Catalysis Employing High-Throughput Experimentation.		2008	RDF
23	Manuel Urbano-Cuadrado, Jorge J. Carbó, Ana G. Maldonado, Carles Bo	New Quantum Mechanics-Based Three-Dimensional Molecular Descriptors for Use in QSSR Approaches: Application to Asymmetric Catalysis.	J. Chem. Inf. Model.	2007	DBLP DOI BibTeX RDF
23	Gianluca Gazzola, Andrew Buchanan, Norman H. Packard, Mark A. Bedau	Catalysis by Self-Assembled Structures in Emergent Reaction Networks.	ECAL	2007	DBLP DOI BibTeX RDF	Chemical Reaction Network, Dissipative Particle Dynamics, Micelle, Concentration Effect, Self-assembly
23	Toshiaki Matsubara, Masashi Ishikura, Misako Aida	A Quantum Chemical Study of the Catalysis for Cytidine Deaminase: Contribution of the Extra Water Molecule.	J. Chem. Inf. Model.	2006	DBLP DOI BibTeX RDF
23	Harold J. Morowitz, Vijayasarathy Srinivasan, Eric Smith	The Swiss army knife of biological catalysis: A compact toolkit of organic functional groups.	Complex.	2006	DBLP DOI BibTeX RDF
23	Chang-Guo Zhan, Shi-Xian Deng, Jaime G. Skiba, Beth A. Hayes, Sarah M. Tschampel, George C. Shields, Donald W. Landry	First-principle studies of intermolecular and intramolecular catalysis of protonated cocaine.	J. Comput. Chem.	2005	DBLP DOI BibTeX RDF
23	James L. Melville, Kevin R. J. Lovelock, Claire Wilson, Bryan Allbutt, Edmund K. Burke, Barry Lygo, Jonathan D. Hirst	Exploring Phase-Transfer Catalysis with Molecular Dynamics and 3D/4D Quantitative Structure-Selectivity Relationships.	J. Chem. Inf. Model.	2005	DBLP DOI BibTeX RDF
23	Matthew Klimesh	Entropy measures and catalysis of bipartite quantum state transformations.	ISIT	2004	DBLP DOI BibTeX RDF
23	Soledad Valero, Estefania Argente, Jose Manuel Serra, P. Serna, Vicente J. Botti, Avelino Corma	A Soft Computing Technique Applied to Industrial Catalysis.	ECAI	2004	DBLP BibTeX RDF