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Nonadiabatic effects in the H+H-2 exchange reaction: Accurate quantum dynamics calculations at a sta
Reconsideration of the excited-state double proton transfer (ESDPT) in 2-aminopyridine/acid systems:
Theoretical Insights into Hydrogen Bonding and Its Influence on the Structural and Spectral Properti
Revealing quantitative structure-activity relationships of transport properties in acene and acene d
Fluorescence quenching phenomena facilitated by excited-state hydrogen bond strengthening for fluore
An ICT-based strategy to a colorimetric and ratiometric fluorescence probe for hydrogen sulfide in l
Anion-Exchange-Triggered 1,3-Shift of an NH Proton to Iridium in Protic N-Heterocyclic Carbenes: Hyd
Time-dependent Wave Packet Quantum Scattering Study of Reaction S(P-3)+H-2 -> HS+H on a New ab initi
Exact quantum scattering study of the H plus HS reaction on a new ab initio potential energy surface
Heteroatomic Effects on Charge-Transfer Mobility of Dianthra[2,3-b:2 ';,3 ';-f]thieno[3,2-b]thiophen
TDDFT Study on Different Sensing Mechanisms of Similar Cyanide Sensors Based on Michael Addition Rea
Density Functional Theory Study on Electron and Hole Transport Properties of Organic Pentacene Deriv
New ab initio potential energy surface and quantum dynamics of the reaction H(S-2) + NH(X-3 Sigma(-)
Photophysical Properties of Coordination-Driven Self-Assembled Metallosupramolecular Rhomboids: Expe
Strong Two-Photon Excited Fluorescence in Pyrene Core Dendrimers with Fluorene/Carbazole as Dendrons
pH-Controlled twisted intramolecular charge transfer (TICT) excited state via changing the charge tr
Photophysical properties of intra- molecular charge transfer in two newly synthesized tribranched do
Quenching of OH(A(2)Sigma(+)) by H-2 through Conical Intersections: Highly Excited Products in Nonre
Fundamental Reaction Pathways for Cytochrome P450-Catalyzed 5 ';-Hydroxylation and N-Demethylation o
Structure-dependent all-optical switching in graphene nanoribbon-like molecules: fully conjugated tr
Steric hindrance effect of the equatorial ligand on Fe(IV)O and Ru(IV)O complexes: a density functio
TD-DFT study on fluoride-sensing mechanism of 2-(2 ';-phenylureaphenyl)benzoxazole: the way to inhib
Catalytic Mechanism of Cytochrome P450 for 5 ';-Hydroxylation of Nicotine: Fundamental Reaction Path
A Near-IR Reversible Fluorescent Probe Modulated by Selenium for Monitoring Peroxynitrite and Imagin
Spectral and intramolecular charge transfer properties in terminal donor/acceptor-substituted all-tr
Rational Design of d-PeT Phenylethynylated-Carbazole Monoboronic Acid Fluorescent Sensors for the Se
Theoretical and experimental study on the intramolecular charge transfer excited state of the new hi
Experimental and theoretical study of the rotational reorientation dynamics of 7-animocoumarin deriv
Excited State Electronic Structures and Photochemistry of Heterocyclic Annulated Perylene (HAP) Mate
Excited-state hydrogen bonding effect on dynamic fluorescence of coumarin 102 chromophore in solutio
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Damir Aumiler, Silvije Vdovic, Shenghien Lin*, Localized Emitting State and Energy Transfer Properti
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Spectroscopic Evidence for Unusual Microviscosity in Imidazolium Ionic Liquid and Tetraethylene Glyc
A BODIPY fluorescence probe modulated by selenoxide spirocyclization reaction for peroxynitrite dete
Steered molecular dynamics simulation study on dynamic self-assembly of single-stranded DNA with dou
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