| P50 | author | Denis Jacquemin | Q42317204 |
| | Adèle D Laurent | Q56854725 |
| | Šimon Budzák | Q60010002 |
| P2093 | author name string | Denis Jacquemin | |
| | Gilles Ulrich | |
| | Šimon Budzák | |
| | Cloé Azarias | |
| | Adèle D Laurent | |
| P2860 | cites work | Excited state intramolecular proton transfer in 3-hydroxy flavone and 5-hydroxy flavone: a DFT based comparative study | Q33504267 |
| | Low-threshold wavelength-switchable organic nanowire lasers based on excited-state intramolecular proton transfer. | Q35618358 |
| | An On-the-Fly Surface-Hopping Program JADE for Nonadiabatic Molecular Dynamics of Polyatomic Systems: Implementation and Applications. | Q35843348 |
| | Proton-transfer spectroscopy of 3-hydroxyflavone in an isolated-site crystal matrix | Q36269012 |
| | New sensing mechanisms for design of fluorescent chemosensors emerging in recent years | Q37858886 |
| | Excited-state intramolecular proton-transfer (ESIPT)-inspired solid state emitters | Q38617381 |
| | An ESIPT fluorescent probe sensitive to protein α-helix structures | Q38985603 |
| | Choosing a Functional for Computing Absorption and Fluorescence Band Shapes with TD-DFT. | Q40303477 |
| | TD-DFT study of the excited-state potential energy surfaces of 2-(2'-hydroxyphenyl)benzimidazole and its amino derivatives | Q43149764 |
| | Synthesis, photo-physical and DFT studies of ESIPT inspired novel 2-(2',4'-dihydroxyphenyl) benzimidazole, benzoxazole and benzothiazole. | Q43624881 |
| | Exploring the metric of excited state proton transfer reactions | Q43684884 |
| | Excited-state tautomerization of gas-phase cytosine | Q43903682 |
| | Tuning of excited-state intramolecular proton transfer (ESIPT) fluorescence of imidazo[1,2-a]pyridine in rigid matrices by substitution effect | Q44359606 |
| | Excited-state free energy surfaces in solution: time-dependent density functional theory∕reference interaction site model self-consistent field method. | Q44623555 |
| | Hydrogen-Bonding-Induced Phenomena in Bifunctional Heteroazaaromatics | Q44657991 |
| | Synthesized Blue Fluorescent Protein Analogue with Tunable Colors from Excited-State Intramolecular Proton Transfer through an N-H···N Hydrogen Bond | Q44920650 |
| | Rational design of a NIR-emitting Pd(II) sensor via oxidative cyclization to form a benzoxazole ring | Q83719440 |
| | Three modes of proton transfer in one chromophore: photoinduced tautomerization in 2-(1H-pyrazol-5-yl)pyridines, their dimers and alcohol complexes | Q84929030 |
| | A TDDFT study on the excited-state intramolecular proton transfer (ESIPT): excited-state equilibrium induced by electron density swing | Q86390136 |
| | Modeling optical signatures and excited-state reactivities of substituted hydroxyphenylbenzoxazole (HBO) ESIPT dyes | Q86897341 |
| | Direct observation of breaking of the intramolecular H-bond, and slowing down of the proton motion and tuning its mechanism in an HBO derivative | Q87294153 |
| | Synthesis and spectroscopic characterisation of new ESIPT fluorescent protein probes. | Q45288193 |
| | TDDFT calculations of electronic spectra of benzoxazoles undergoing excited state proton transfer. | Q45399713 |
| | Photoinduced proton coupled electron transfer in 2-(2'-hydroxyphenyl)-benzothiazole | Q45710960 |
| | Excited-state diproton transfer in [2,2'-bipyridyl]-3,3'-diol: the mechanism is sequential, not concerted. | Q45942315 |
| | Blue-green emitting sulphonamido-imidazole derivatives: ESIPT based excited state dynamics | Q46079996 |
| | Computational studies of the photophysics of neutral and zwitterionic amino acids in an aqueous environment: tyrosine-(H(2)O)(2) and tryptophan-(H(2)O)(2) clusters. | Q46188595 |
| | Excited state intramolecular proton transfer (ESIPT) in 2-(2'-hydroxyphenyl)benzoxazole and its naphthalene-fused analogs: a TD-DFT quantum chemical study | Q46276336 |
| | Proton transfer with a twist? Femtosecond dynamics of 7-(2-pyridyl)indole in condensed phase and in supersonic jets | Q46499040 |
| | Imidazole-based excited-state intramolecular proton-transfer materials: synthesis and amplified spontaneous emission from a large single crystal | Q46596227 |
| | An abnormally slow proton transfer reaction in a simple HBO derivative due to ultrafast intramolecular-charge transfer events. | Q46744137 |
| | Excited-state intramolecular proton transfer to carbon atoms: nonadiabatic surface-hopping dynamics simulations | Q46768132 |
| | A combined experimental and DFT-TDDFT study of the excited-state intramolecular proton transfer (ESIPT) of 2-(2'-hydroxyphenyl) imidazole derivatives | Q46779797 |
| | Switching to a reversible proton motion in a charge-transferred dye. | Q46796846 |
| | Rotamerism, tautomerism, and excited-state intramolecular proton transfer in 2-(4'-N,N-diethylamino-2'-hydroxyphenyl)benzimidazoles: novel benzimidazoles undergoing excited-state intramolecular coupled proton and charge transfer | Q46836912 |
| | Describing excited state intramolecular proton transfer in dual emissive systems: a density functional theory based analysis. | Q46840735 |
| | A strap strategy for construction of an excited-state intramolecular proton transfer (ESIPT) system with dual fluorescence | Q46879383 |
| | Computational Protocol for Modeling Thermochromic Molecular Crystals: Salicylidene Aniline As a Case Study | Q46889980 |
| | Intermolecular proton shuttling in excited state proton transfer reactions: insights from theory | Q46913321 |
| | TD-DFT Assessment of Functionals for Optical 0-0 Transitions in Solvated Dyes | Q49119944 |
| | Investigation of ESIPT in a panel of chromophores presenting N-H∙∙∙N intramolecular hydrogen bonds | Q50221062 |
| | 2-(2'-Hydroxyphenyl)benzimidazole and 9,10-phenanthroimidazole chelates and borate complexes: solution- and solid-state emitters | Q50232625 |
| | Ortho green fluorescence protein synthetic chromophore; excited-state intramolecular proton transfer via a seven-membered-ring hydrogen-bonding system. | Q50692200 |
| | Electric field control of proton-transfer molecular switching: molecular dynamics study on salicylidene aniline. | Q50912286 |
| | Excited-state intramolecular proton transfer: photoswitching in salicylidene methylamine derivatives. | Q51091023 |
| | Temperature effect on dual fluorescence of 2-(2'-hydroxyphenyl)benzimidazole and its nitrogen substituted analogues. | Q51150873 |
| | The third-order algebraic diagrammatic construction method (ADC(3)) for the polarization propagator for closed-shell molecules: efficient implementation and benchmarking. | Q51585949 |
| | Strong solvatochromic fluorescence from the intramolecular charge-transfer state created by excited-state intramolecular proton transfer. | Q51618953 |
| | Formation and relaxation of excited states in solution: a new time dependent polarizable continuum model based on time dependent density functional theory. | Q51944476 |
| | Photo-deactivation pathways of a double H-bonded photochromic Schiff base investigated by combined theoretical calculations and experimental time-resolved studies. | Q53213869 |
| | Nonequilibrium H/D isotope effects from trajectory-based nonadiabatic dynamics. | Q54456362 |
| | Quantum mechanical continuum solvation models. | Q55041134 |
| | Proton-transfer reaction dynamics | Q56115803 |
| | Performance of recent and high-performance approximate density functionals for time-dependent density functional theory calculations of valence and Rydberg electronic transition energies | Q57401976 |
| | Density functional approximations for charge transfer excitations with intermediate spatial overlap | Q57402049 |
| | The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other fun | Q57402104 |
| | TD-DFT Assessment of the Excited State Intramolecular Proton Transfer in Hydroxyphenylbenzimidazole (HBI) Dyes | Q57770576 |
| | Analyzing excited-state processes and optical signatures of a ratiomeric fluorine anion sensor: a quantum look | Q57770597 |
| | ESIPT or not ESIPT? Revisiting recent results on 2,1,3-benzothiadiazole under the TD-DFT light | Q57770629 |
| | White Emitters by Tuning the Excited-State Intramolecular Proton-Transfer Fluorescence Emission in 2-(2′-Hydroxybenzofuran)benzoxazole Dyes | Q57770737 |
| | TD-DFT benchmarks: A review | Q57770788 |
| | The Empirical Correlation between Hydrogen Bonding Strength and Excited-State Intramolecular Proton Transfer in 2-Pyridyl Pyrazoles | Q62047895 |
| | Excited-State Intramolecular Proton Transfer in Five-Membered Hydrogen-Bonding Systems: 2-Pyridyl Pyrazoles | Q62048085 |
| | Mechanism of an Exceptional Class of Photostabilizers: A Seam of Conical Intersection Parallel to Excited State Intramolecular Proton Transfer (ESIPT) ino-Hydroxyphenyl-(1,3,5)-triazine | Q62514089 |
| | Mode-selective excited-state proton transfer in 2-(2'-pyridyl)pyrrole isolated in a supersonic jet | Q79786716 |
| | Excited-state intramolecular proton transfer: a survey of TDDFT and RI-CC2 excited-state potential energy surfaces | Q79880030 |
| | Excited state intramolecular proton transfer (ESIPT): from principal photophysics to the development of new chromophores and applications in fluorescent molecular probes and luminescent materials | Q83115130 |
| | Benchmarking the performance of time-dependent density functional methods | Q83673488 |
| P433 | issue | 6 | |
| P407 | language of work or name | English | Q1860 |
| P304 | page(s) | 3763-3774 | |
| P577 | publication date | 2016-06-01 | |
| P1433 | published in | Chemical Science | Q2962267 |
| P1476 | title | Tuning ESIPT fluorophores into dual emitters | |
| P478 | volume | 7 | |