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Monitoring Water Clusters "Melt" Through Vibrational Spectroscopy.Accelerating Ab Initio Path Integral Simulations via Imaginary Multiple-Timestepping.Variational mixed quantum/semiclassical simulation of dihalogen guest and rare-gas solid host dynamics.Numerical tests of a fixed vibrational basis/gaussian bath theory for small molecule dynamics in low-temperature media.Efficient anharmonic vibrational spectroscopy for large molecules using local-mode coordinatesVibrational Signatures of Conformer-Specific Intramolecular Interactions in Protonated TryptophanVibrational Signatures of Electronic Properties in Oxidized Water: Unraveling the Anomalous Spectrum of the Water Dimer CationTuning vibrational mode localization with frequency windowingDynamic modulation of the lipid translocation groove generates a conductive ion channel in Ca2+-bound nhTMEM16
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description
investigador
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researcher
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name
Xiaolu Cheng
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type
label
Xiaolu Cheng
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prefLabel
Xiaolu Cheng
@en
P31
P496
0000-0002-2785-6488