Phenalene (C13H10) is detected for the first time outside TMC-1 CP, in the VeLLO MC27/L1521F, with a phenalene-to-benzonitrile ratio four times higher than in TMC-1 CP.
The intrinsic reaction coordinate. An ab initio calculation for HNC→HCN and H-+ CH4→CH4+ H-
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CovAngelo implements a QM/QM/MM embedding model using quantum-information metrics to compute reaction energy profiles and barriers for covalent drug binding at lower cost than conventional methods, demonstrated on zanubrutinib to BTK.
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Detection of the Polycyclic Aromatic Hydrocarbon Phenalene (C$_{13}$H$_{10}$) in the Very Low Luminosity Object (VeLLO) MC27/L1521F
Phenalene (C13H10) is detected for the first time outside TMC-1 CP, in the VeLLO MC27/L1521F, with a phenalene-to-benzonitrile ratio four times higher than in TMC-1 CP.
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CovAngelo: A hybrid quantum-classical computing platform for accurate and scalable drug discovery
CovAngelo implements a QM/QM/MM embedding model using quantum-information metrics to compute reaction energy profiles and barriers for covalent drug binding at lower cost than conventional methods, demonstrated on zanubrutinib to BTK.