Computational Studies Publications

Publications in Computational Studies

Explore the most influential research papers and scholarly works that have shaped Computational Studies. Use the concept filter below to focus on a specific sub-area of research.

Computational Studies

2.8K

Publications

141.8K

Citations

Showing yearly statistics from 2000-2026.

Page 1

	Year	Citations
Correlated electrons in high-temperature superconductors Elbio Dagotto Reviews of Modern Physics Superconducting MaterialEngineeringBismuth-based SuperconductorsTheoretical IdeasNumerical Results	1994	3.1K
Encyclopedia of Computational Chemistry Anselm H. C. Horn, Harald Lanig Journal of Molecular Modeling EngineeringComputational StudiesMolecular ComputingComputational ChemistryChemistry	1999	2.5K
Are MXenes Promising Anode Materials for Li Ion Batteries? Computational Studies on Electronic Properties and Li Storage Capability of Ti<sub>3</sub>C<sub>2</sub> and Ti<sub>3</sub>C<sub>2</sub>X<sub>2</sub> (X = F, OH) Monolayer Qing Tang, Zhen Zhou, Pan‐Wen Shen Journal of the American Chemical Society EngineeringElectronic PropertiesChemistryMxenesLi Ion Batteries	2012	2.2K
Copper(I)-Catalyzed Synthesis of Azoles. DFT Study Predicts Unprecedented Reactivity and Intermediates Fahmi Himo, Timothy Lovell, Robert Hilgraf, Journal of the American Chemical Society Unprecedented Metallacycle IntermediatesChemical EngineeringEngineeringHeterocyclicStepwise Mechanism	2004	1.7K
Essentials of computational chemistry Christopher J. Cramer EngineeringComputational StudiesMathematical ChemistryMolecular ComputingComputational Chemistry	2004	1.3K
Encyclopedia of computational chemistry Choice Reviews Online EngineeringComputational StudiesMolecular ComputingComputational ChemistryChemistry	1999	1.1K
Neural Correlates of Motor Memory Consolidation Reza Shadmehr, Henry H. Holcomb Science Motor LearningNeuropsychologyMotor SkillCognitionMotor Control	1997	1K
Direct Observation and Quantification of CO <sub>2</sub> Binding Within an Amine-Functionalized Nanoporous Solid Ramanathan Vaidhyanathan, S.S. Iremonger, George K. H. Shimizu, Science EngineeringNanoporous MaterialMolecular DetailsComputational ChemistryChemistry	2010	911
Catalytic Intermolecular Direct Arylation of Perfluorobenzenes Marc Lafrance, Christopher N. Rowley, Tom K. Woo, Journal of the American Chemical Society Chemical EngineeringCross-coupling ReactionEngineeringCatalytic SynthesisComputational Studies	2006	839
Enhancing Electrocatalytic Oxygen Reduction on MnO<sub>2</sub> with Vacancies Fangyi Cheng, Tianran Zhang, Yi Zhang, Angewandte Chemie International Edition Materials ScienceOxygen Reduction ReactionChemical EngineeringEngineeringPristine Oxide	2013	702
New Perspectives on the Charging Mechanisms of Supercapacitors Alexander C. Forse, Céline Merlet, John M. Griffin, Journal of the American Chemical Society Electrical EngineeringSupercapacitorsEngineeringDouble-layer CapacitorsPorous Carbon Electrodes	2016	680
Steric and Electronic Properties of N-Heterocyclic Carbenes (NHC): A Detailed Study on Their Interaction with Ni(CO)<sub>4</sub> Reto Dorta, Edwin D. Stevens, Natalie Scott, Journal of the American Chemical Society Inorganic CompoundInorganic ChemistryChemical EngineeringEngineeringHeterocyclic	2005	632

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