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Primary view of Experimental and kinetic modeling study of oxidation of acetonitrile
Alzueta, María U.; Guerrero, Marta; Millera, Angela; Marshall, Paul & Glarborg, Peter
April 10, 2021
Primary view of Bifunctional activation of methane by bioinspired transition metal complexes. A simple methane protease model
Anderson, Mary E.; Marks, Michael B. & Cundari, Thomas R., 1964-
February 15, 2021
Primary view of Accelerated reliability testing of Cu-Al bimetallic contact by a micropattern corrosion testing platform for wire bond device application
Ashok Kumar, Goutham Isaac; Alptekin, John; Caperton, Joshua; Salunke, Ashish & Chyan, Oliver Ming-Ren
March 26, 2021
Primary view of Reference materials for phase equilibrium studies. 1. Liquid–liquid equilibria (IUPAC Technical Report)
Bazyleva, Ala; Acree, William E. (William Eugene); Chirico, Robert D.; Diky, Vladimir; Hefter, Glenn T.; Jacquemin, Johan et al.
July 8, 2021
Primary view of Self-Assembly-Directed Organization of a Fullerene–Bisporphyrin into Supramolecular Giant Donut Structures for Excited-State Charge Stabilization
Caballero, Rubén; Barrejón, Myriam; Cerdá, Jesús; Aragó, Juan; Seetharaman, Sairaman; de la Cruz, Pilar et al.
July 14, 2021
Primary view of Advanced modeling of materials with PAOFLOW 2.0: New features and software design
Cesaroli, Frank T.; Supka, Andrew; Jayaraj, Anooja; Costa, Marcio; Siloi, Ilaria; Sławińska, Jagoda et al.
September 2, 2021
Primary view of Anion-enhanced excited state charge separation in a spiro-locked N-heterocycle-fused push-pull zinc porphyrin
Chahal, Mandeep K.; Liyanage, Anudradha; Alsaleh, Ajyal Z.; Karr, P. A.; Hill, Jonathan P. & D'Souza, Francis
February 24, 2021
Primary view of Kinetic fall-off behavior for the Cl + Furan-2,5-dione (C4H2O3, maleic anhydride) reaction
Chattopadhyay, Aparajeo; Gierczak, Tomasz; Marshall, Paul; Papadimitriou, Vassileios C. & Burkholder, James B. (James Bart), 1954-
February 15, 2021
Primary view of Theoretical modeling study of the reaction H + CF4 → HF + CF3
Cobos, Carlos J.; Knight, Gary; Marshall, Paul & Troe, Jürgen
March 23, 2021
Primary view of Discovery of higher-order topological insulators using the spin Hall conductivity as a topology signature
Costa, Marcio; Mera Acosta, Carlos; Padilha, Antonio C.M.; Cerasoli, Frank T.; Buongiorno Nardelli, Marco & Fazzio, Adalberto
April 12, 2021
Primary view of Development of Novel Approaches to Earth-abundant Methane Catalysis
Cundari, Thomas R., 1964-
2021-08-15/2024-08-14
Primary view of MRI: Acquisition of a High Performance Hybrid Computer Cluster for Computational Modeling
Cundari, Thomas R., 1964-; Du, Jincheng; Andreussi, Oliviero & Yan, Hao
2021-10-01/2024-09-30
Primary view of Cysne et al. Reply
Cysne, Tarik P.; Costa, Marcio; Canonico, Luis M.; Buongiorno Nardelli, Marco; Muniz, R. B. & Rappoport, Tatiana G.
October 1, 2021
Primary view of Disentangling Orbital and Valley Hall Effects in Bilayers of Transition Metal Dichalcogenides
Cysne, Tarik P.; Costa, Marcio; Canonico, Luis M.; Buongiorno Nardelli, Marco; Muniz, R. B. & Rappoport, Tatiana G.
February 5, 2021
Primary view of Ignition delay times of NH3/DME blends at high pressure and low DME fraction: RCM experiments and simulations
Dai, Liming; Glarborg, Peter; Gersen, Sander; Marshall, Paul; Mokhov, Anatoli & Levinsky, Howard
January 14, 2021
Primary view of Development of Neutral Red as a pH/pCO2 Luminescent Sensor for Biological Systems
Ericson, Megan N.; Shankar, Sindhu K.; Chahine, Laya M.; Omary, Mohammad A.; Hunt von Herbing, Ione & Marpu, Sreekar
August 5, 2021
Primary view of Acetaldehyde oxidation at elevated pressure
Hashemi, Hamid; Christensen, Jakob M.; Marshall, Paul & Glarborg, Peter
April 10, 2021
Primary view of Oxygen atom transfer catalysis by dioxidomolybdenum(VI) complexes of pyridyl aminophenolate ligands
Hossain, Kamal; Schachner, Jörg A.; Haukka, Matti; Richmond, Michael G.; Mösch-Zanetti, Nadia C.; Lehtonen, Ari et al.
April 21, 2021
Primary view of Early Oxidative Transformations During the Biosynthesis of Terrein and Related Natural Products
Kahlert, Lukas; Bernardi, Darlon; Hauser, Maurice; Lóca, Laura P.; Berlinck, Roberto G. S.; Skellam, Elizabeth et al.
June 11, 2021
Primary view of Biosynthesis of 6-Hydroxymellein Requires a Collaborating Polyketide Synthase-like Enzyme
Kahlert, Lukas; Villanueva, Miranda; Cox, Russell J. & Skellam, Elizabeth
May 10, 2021
Primary view of Evaluation of nine condensed-phase force fields of the GROMOS, CHARMM, OPLS, AMBER, and OpenFF families against experimental cross-solvation free energies
Kashefolgheta, Sadra; Wang, Shuzhe; Acree, William E. (William Eugene) & Hünenberger, Philippe H.
April 30, 2021
Primary view of Metal Oxynitrides: Tuning Metal-N and Metal-O Interactions for Improved Electrocatalytic Properties at the Liquid/Solid Interface
Kelber, Jeffry A.; Cundari, Thomas R., 1964- & D'Souza, Francis
2021-08-01/2024-07-31
Primary view of Selective Noncatalytic Reduction of NOx Using Ammonium Sulfate
Krum, Kristian R. K.; Jensen, Martin; Li, Songgeng; Norman, Thomas; Marshall, Paul; Wu, Hao et al.
July 15, 2021
Primary view of Self-reporting molecularly imprinted polymer with the covalently immobilized ferrocene redox probe for selective electrochemical sensing of p-synephrine
Lach, Patrycja; Cieplak, Maciej; Noworyta, K.; Pieta, Piotr; Lisowski, Wojciech; Kalecki, Jakub et al.
June 10, 2021
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