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Using Atomic Charges to Describe the pKa of Carboxylic Acids
Zeynep Pinar Haslak
2020-08-11T10:03:20Z
An Insight into the Interaction Between α-Ketoamide-Based Inhibitor and Coronavirus Main Protease: A Detailed in Silico Study
Snehasis Banerjee
2020-08-11T09:06:42Z
Spectroscopic and Electrokinetic Evidence for a Bifunctional Mechanism of the Oxygen Evolution Reaction
Lichen Bai
2020-08-11T07:29:55Z
Enzyvitands: evolvable biosynthetic and colorimetric chalices
Thibaud Rossel
2020-08-11T07:03:00Z
Nonadiabatic Dynamics in Multidimensional Complex Potential Energy Surfaces
Fábris Kossoski
2020-08-11T06:14:12Z
DFT-D4 Counterparts of Leading Meta-GGA and Hybrid Density Functionals for Energetics and Geometries
Asim Najibi
2020-08-11T05:17:56Z
Systematic Finite-Temperature Reduction of Crystal Energy Landscapes.
Nicholas Francia
2020-08-11T05:10:17Z
A Mechanochemical Model for the Simulation of Molecules and Molecular Crystals Under Hydrostatic Pressure
Tim Stauch
2020-08-11T04:59:58Z
Dynamic, Multimodal Hydrogel Actuators Using Porphyrin-Based Visible Light Photoredox Catalysis in a Thermoresponsive Polymer Network
Faheem Amir
2020-08-11T04:52:53Z
[18F]SuFEx Click Chemistry Enabled Ultrafast Late-stage Radiosynthesis
Qinheng Zheng
2020-08-11T04:36:24Z
