Publications
Scientific Area
Topic
- All Apply All filter
- Organic Electronics Apply Organic Electronics filter
- Polymeric Materials Apply Polymeric Materials filter
- Consumer Packaged Goods Apply Consumer Packaged Goods filter
- (-) Remove Catalysis and Reactive Systems filter Catalysis and Reactive Systems
- Semiconductors Apply Semiconductors filter
- Energy Capture and Storage Apply Energy Capture and Storage filter
- Complex Formulations Apply Complex Formulations filter
- Hit Identification and Virtual Screening Apply Hit Identification and Virtual Screening filter
- Informatics and Team Collaboration Apply Informatics and Team Collaboration filter
- Lead Optimization Apply Lead Optimization filter
- Target Validation and Structural Enablement Apply Target Validation and Structural Enablement filter
Product
· publication by Schrödinger author
Intramolecular hydroxyl nucleophilic attack pathway by a polymeric water oxidation catalyst with single cobalt sites
Hao Yang, Fusheng Li, Shaoqi Zhan, Yawen Liu, Wenlong Li, Qijun Meng, Alexander Kravchenko, Tianqi Liu, Yi Yang, Yuan Fang, Linqin Wang, Jiaqi Guan, István Furó, Mårten S. G. Ahlquist & Licheng Sun
Materials Science
Borane-catalyzed dehydrogenative C–C bond formation of indoles with N-tosylhydrazones: an experimental and computational study
Dipika, Yogesh Brijwashi Sharma, Suyash Pant, Devendra Kumar Dhaked and Murali Mohan Guru
Materials Science
An easy to make Hg(II) complex as a selective and sensitive fluorescent turn-on chemosensor for iodide in an aqueous solution based on metal ion displacement mechanism
K. Satheeshkumar, P. Saravana Kumar, R. Shanmugapriya, C. Nandhini, K.N. Vennila, Kuppanagounder P. Elango
Materials Science
Olefin Metathesis Catalyzed by a Hoveyda–Grubbs-like Complex Chelated to Bis(2-mercaptoimidazolyl) Methane: A Predictive DFT Study
J. Pablo Martínez and Bartosz Trzaskowski
Materials Science
Exploring the Mechanism of Cr(VI) Catalyzed Hypochlorous Acid Decomposition
Michael Busch, Nina Simic, Elisabet Ahlberg
Materials Science
One-Pot Chemo-bioprocess of PET Depolymerization and Recycling Enabled by a Biocompatible Catalyst, Betaine
Kim, D.H.; Han, D.O.; Shim, K.I.; Kim, J.K.; Pelton, J.G.; Ryu, M.H.; Joo, J.C.; Han, J.W.; Kim, H.T.; Kim, K.H.
Materials Science
Cu (I)-Catalyzed Enantioselective [5+ 1] Cycloaddition of N-Aromatic Compounds and Alkynes via Chelating Assisted 1, 2-Dearomative Addition
De, N.; Ko, D.; Baek, S.; Oh, C.; Kim, J.; Baik, M.H.; Yoo E.J.
Materials Science
·Effects of Lewis Acidic Metal Ions (M) on Oxygen-Atom Transfer Reactivity of Heterometallic Mn3MO4 Cubane and Fe3MO(OH) and Mn3MO(OH) Clusters
Lionetti, D.; Suseno, S.; Tsui, E. Y.; Lu, L.; Stich, T. A.; Carsch, K. M.; Nielsen, R. J.; Goddard, W. A.; Britt, R. D.; Agapie, T.
Materials Science
Mechanistic Studies on NaHCO3 Hydrogenation and HCOOH Dehydrogenation Reactions Catalysed by a FeIILinear Tetraphosphine Complex
Marcos, R.; Bertini, F.; Rinkevicius, Z.; Peruzzini, M.; Gonsalvi, L.; Ahlquist, M. S. G.
Materials Science
Complexes of Zn(II) and Cd(II) with 2-acetylpyridine -aminoguanidine – Syntheses, structures and DFT calculations
Radanović, M.; Rodić, M.; Vojinović-Ješić, L.; Armaković, S.; Armaković, S.; Leovac, V.
Materials Science
·Automated Transition State Search and Its Application to Diverse Types of Organic Reactions
Jacobson, L., Bochevarov, A., Watson, M., Hughes, T., Rinado, D., Ehrlich, S., Steinbrecher, T., Vaitheeswaran, S., Philipp, D., Halls, M., Friesner, R.
Materials Science
Synthesis and Characterization of Phosphorescent Cyclometalated Ir and Pt Heteroleptic Complexes Using Cyclophane-based Chelates
Batagoda, B.K.T.; Djurovich, P.I.; Bräse, S.; Thompson, M.E.