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Coraline Tao2020-05-01 19:02:472022-12-27 17:18:17Josh’s paper on proton coupled electron transfer across benzimidazole bridges in bioinspired proton wires is published in Chem. Sci.!
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Coraline Tao2020-03-12 00:33:462022-12-27 17:18:17Max’s paper on inhomogeneity of interfacial electric fields at vibrational probes on electrode surfaces is published in ACS Cent. Sci.!
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Coraline Tao2020-02-20 00:20:102022-12-27 17:18:17David’s paper on examining the mechanism of phosphite dehydrogenase with quantum mechanical/molecular mechanical free energy simulations is published in Biochemistry!
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Coraline Tao2020-02-18 19:00:182022-12-27 17:18:17Fabijan and Ben’s paper on multicomponent orbital-optimized perturbation theory methods: approaching coupled cluster accuracy at lower cost is published in J. Phys. Chem. Lett.!
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Coraline Tao2019-12-20 01:47:142022-12-27 17:18:17Elvira’s paper on substituent effects on photochemistry of anthracene‒phenol‒pyridine triads revealed by multireference calculations is published in J. Am. Chem. Soc.!
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Coraline Tao2019-11-20 01:40:352022-12-27 17:18:17Josh’s paper on early photocycle of Slr1694 blue-light using flavin photoreceptor unraveled through adiabatic excited state quantum mechanical/molecular mechanical dynamics is published in J. Am. Chem. Soc.!
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Coraline Tao2019-10-20 01:33:202022-12-27 17:18:17Tanner, Patrick and Fabijan’s paper on molecular vibrational frequencies with multiple quantum protons within the nuclear-electronic orbital framework is published in J. Chem. Theory Comput.!
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Coraline Tao2019-09-24 17:22:302022-12-27 17:18:17Coraline and Yang’s paper on multicomponent density functional theory: Including the density gradient in the electron-proton correlation functional for hydrogen and deuterium is published in J. Chem. Phys.!
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Coraline Tao2019-09-23 13:58:322022-12-27 17:18:17Congratulations Tanner on successfully defending his PhD thesis!
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Coraline Tao2019-09-17 21:55:412022-12-27 17:18:17Elvira is the recipient of the 2019 Young Investigator Award from the Physical Chemistry Division and the Wiley Computers in Chemistry Outstanding Postdoc Award from the “Computers in Chemistry” Division of American Chemical Society!
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