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Coraline Tao2020-11-20 03:24:462022-12-27 17:18:16Qi’s paper on nuclear-electronic orbital multistate density functional theory is published in J. Phys. Chem. Lett.!
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Coraline Tao2020-09-29 03:23:432022-12-27 17:18:16Josh, Pengfei and Kevin’s paper on formation of an unusual glutamine tautomer in a blue-light using flavin photocycle characterizes the light-adapted state is published in Proc. Nat. Acad. Sci. USA!
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Coraline Tao2020-08-15 18:03:172022-12-27 17:18:16Elvira’s paper on excited state molecular dynamics of photoinduced proton-coupled electron transfer in anthracene-phenol-pyridine triads is published in J. Phys. Chem. Lett.!
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Coraline Tao2020-07-24 18:02:322022-12-27 17:18:16Pengfei and Alexander’s paper on theoretical study of shallow distance dependence of proton-coupled electron transfer in oligoproline metallopeptides is published in J. Am. Chem. Soc.!
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Coraline Tao2020-07-20 20:37:472022-12-27 17:18:16Fabijan and Coraline’s paper on frequency and time domain nuclear-electronic orbital equation-of-motion coupled cluster methods: Combination bands and electronic-protonic double excitations is published in J. Phys. Chem. Lett.!
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Coraline Tao2020-07-18 17:51:062022-12-27 17:18:16Chlorice and Pengfei’s paper on conformational motions and water networks at the α/β interface in E. coli ribonucleotide reductase is published in J. Am. Chem. Soc.!
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Coraline Tao2020-07-08 19:55:262022-12-27 17:18:16Qi and Fabijan’s paper on development of nuclear basis sets for multicomponent quantum chemistry methods is published in J. Chem. Phys.!
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Coraline Tao2020-06-23 20:34:082022-12-27 17:18:16Chlorice’s paper on proton-coupled electron transfer from tyrosine in the interior of a de novoprotein: Mechanisms and primary proton acceptor is published in J. Am. Chem. Soc.!
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Coraline Tao2020-06-08 18:43:452022-12-27 17:18:16Coraline and Fabijan’s paper on real-time time-dependent nuclear-electronic orbital approach: dynamics beyond the Born-Oppenheimer approximation is published in J. Phys. Chem. Lett.!
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Coraline Tao2020-05-15 16:14:452022-12-27 17:18:17Fabijan and Tanner’s paper on multicomponent quantum chemistry: integrating electronic and nuclear quantum effects via the nuclear-electronic orbital method is published in Chem. Rev.!
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