Arpan Dutta, Ville Tiainen, Ilia Sokolovskii, Luís Duarte, Nemanja Markešević, Dmitry Morozov, Hassan A. Qureshi, Siim Pikker, Gerrit Groenhof and J. Jussi Toppari

Nat Commun, 2024, 15
DOI: 10.1038/s41467-024-50532-5

Dormant acceptor activation of 10-hydroxybenzoquinline derivatives by excited-state intramolecular proton transfer

Einat Kisin-Finfer, Ron Simkovitch, Doron Shabat and Dan Huppert

Journal of Photochemistry and Photobiology A: Chemistry, 2016, 326, 89
DOI: 10.1016/j.jphotochem.2016.04.021

The origin of ultrafast proton transfer: Multidimensional wave packet motion vs. tunneling

Christian Schriever, Stefan Lochbrunner, Armin R. Ofial and Eberhard Riedle

Chemical Physics Letters, 2011, 503, 61
DOI: 10.1016/j.cplett.2010.12.087

Chemistry of carotenoid neutral radicals

A. Ligia Focsan, Adam Magyar and Lowell D. Kispert

Archives of Biochemistry and Biophysics, 2015, 572, 167
DOI: 10.1016/j.abb.2015.02.005

Excited-State Intramolecular Proton Transfer of the Natural Product Quercetin

Ron Simkovitch and Dan Huppert

J. Phys. Chem. B, 2015, 119, 10244
DOI: 10.1021/acs.jpcb.5b04867

Coherent nuclear wave packet dynamics of laurdan launched by intramolecular charge transfer

S. Y. Kim, T. Joo, M. Chergui, A. Taylor, S. Cundiff, R. de Vivie-Riedle and K. Yamagouchi

EPJ Web of Conferences, 2013, 41, 07015
DOI: 10.1051/epjconf/20134107015

New Excited-State Proton Transfer Mechanisms for 1,8-Dihydroxydibenzo[a,h]phenazine

Jinfeng Zhao, Hongbin Yao, Jianyong Liu and Mark R. Hoffmann

J. Phys. Chem. A, 2015, 119, 681
DOI: 10.1021/jp5120459

Ultrafast Intramolecular Proton Transfer of Alizarin Investigated by Femtosecond Stimulated Raman Spectroscopy

Myungsam Jen, Sebok Lee, Kooknam Jeon, Shafqat Hussain and Yoonsoo Pang

J. Phys. Chem. B, 2017, 121, 4129
DOI: 10.1021/acs.jpcb.6b12408

Photophysical properties of 1,2-dihydroxyanthraquinone in AOT reverse micelles

Taehyung Jang, Gisang Lee, Sebok Lee, Jaebeom Lee and Yoonsoo Pang

Journal of Molecular Liquids, 2019, 279, 503
DOI: 10.1016/j.molliq.2019.02.015

Ultrafast Dynamics Revealed with Time-Resolved Scanning Tunneling Microscopy: A Review

Kangkai Liang, Liya Bi, Qingyi Zhu, Hao Zhou and Shaowei Li

ACS Appl. Opt. Mater., 2023, 1, 924
DOI: 10.1021/acsaom.2c00169

Ultrafast Excited State Intramolecular Proton Transfer Dynamics of 1-Hydroxyanthraquinone in Solution

Jaehyun Ryu, Hyun Woo Kim, Myung Soo Kim and Taiha Joo

Bulletin of the Korean Chemical Society, 2013, 34, 465
DOI: 10.5012/bkcs.2013.34.2.465

Modeling Excited-State Proton Transfer Using the Lindblad Equation: Quantification of Time-Resolved Spectroscopy with Mechanistic Insights

Luhao Zhang, Francesca Fassioli, Bo Fu, Zhen-Su She and Gregory D. Scholes

ACS Phys. Chem Au, 2023, 3, 107
DOI: 10.1021/acsphyschemau.2c00038

Photochemical initiation of polariton‐mediated exciton propagation

Ilia Sokolovskii and Gerrit Groenhof

Nanophotonics, 2024, 13, 2687
DOI: 10.1515/nanoph-2023-0684

Experimental and theoretical study of 10-methoxy-2-phenylbenzo[h]quinoline

Dong Zhenming, Shi Heping, Liu Yufang, Liu Diansheng and Liu Bo

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2011, 78, 1143
DOI: 10.1016/j.saa.2010.12.067

Active Role of Proton in Excited State Intramolecular Proton Transfer Reaction

Junghwa Lee, Chul Hoon Kim and Taiha Joo

J. Phys. Chem. A, 2013, 117, 1400
DOI: 10.1021/jp311884b

Intramolecular Proton Transfer in 2‐(2′‐hydroxyphenyl)oxazolo[4,5‐b]pyridine: Evidence for Tautomer in the Ground State

Francis A. S. Chipem, Ashim Malakar and Govindarajan Krishnamoorthy

Photochem & Photobiology, 2015, 91, 298
DOI: 10.1111/php.12411

One molecule to couple them all: Toward realistic numbers of molecules in multiscale molecular dynamics simulations of exciton-polaritons

Ilia Sokolovskii, Dmitry Morozov and Gerrit Groenhof

The Journal of Chemical Physics, 2024, 161
DOI: 10.1063/5.0227515

Theoretical insights into excited-state intramolecular and multiple intermolecular hydrogen bonds in 2-(2-Hydroxy-phenyl)-4(3H)-quinazolinone

Li-Yan Liu, Shuai-Shuai Wu, Jie Yu, Shuo Chai and Shu-Lin Cong

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2019, 207, 61
DOI: 10.1016/j.saa.2018.08.054

TD-DFT Study of Excited-State Intramolecular Proton Transfer (ESIPT) of 2-(1,3-benzothiazol-2-yl)-5-(N,N-diethylamino)Phenol with Benzoxazole and Benzimidazole Analogues

Vikas Padalkar, Ponnadurai Ramasami and Nagaiyan Sekar

Procedia Computer Science, 2013, 18, 797
DOI: 10.1016/j.procs.2013.05.244

Ultrafast Elementary Photochemical Processes of Organic Molecules in Liquid Solution

Tatu Kumpulainen, Bernhard Lang, Arnulf Rosspeintner and Eric Vauthey

Chem. Rev., 2017, 117, 10826
DOI: 10.1021/acs.chemrev.6b00491

Excited state intramolecular proton transfer of 1,2-dihydroxyanthraquinone by femtosecond transient absorption spectroscopy

Sebok Lee, Jaebeom Lee and Yoonsoo Pang

Current Applied Physics, 2015, 15, 1492
DOI: 10.1016/j.cap.2015.08.017

Excited-State Dynamics of a Benzotriazole Photostabilizer: 2-(2′-Hydroxy-5′-methylphenyl)benzotriazole

Shiela Pijeau, Donneille Foster and Edward G. Hohenstein

J. Phys. Chem. A, 2017, 121, 6377
DOI: 10.1021/acs.jpca.7b04504

Excited state intramolecular proton transfer of 2-(2′,6′-dihydroxyphenyl)benzoxazole: Insights using computational methods

Abhinav B. Tathe, Vinod D. Gupta, Milind R. Shreykar, Ponnadurai Ramasami and Nagaiyan Sekar

Journal of Luminescence, 2014, 154, 267
DOI: 10.1016/j.jlumin.2014.04.044

Extending Non-Perturbative Simulation Techniques for Open-Quantum Systems to Excited-State Proton Transfer and Ultrafast Non-Adiabatic Dynamics

Brieuc Le Dé, Simon Huppert, Riccardo Spezia and Alex W. Chin

J. Chem. Theory Comput., 2024, 20, 8749
DOI: 10.1021/acs.jctc.4c00666

Ultrafast excited-state intramolecular double proton transfer dynamics of 1,4-dihydroxyanthraquinone

Cheng Huang, Xu Zhang, Yanqiu Zhu, Song Zhang, Zhilei Xiao, Duoduo Li and Zhengrong Wei

Journal of Luminescence, 2026, 289, 121611
DOI: 10.1016/j.jlumin.2025.121611

Nonadiabatic quantum dynamics of the coherent excited state intramolecular proton transfer of 10-hydroxybenzo[h]quinoline

David Picconi

Photochem Photobiol Sci, 2021, 20, 1455
DOI: 10.1007/s43630-021-00112-z

Coherent Nuclear Wave Packets in Q States by Ultrafast Internal Conversions in Free Base Tetraphenylporphyrin

So Young Kim and Taiha Joo

J. Phys. Chem. Lett., 2015, 6, 2993
DOI: 10.1021/acs.jpclett.5b01188

Improved Complete Active Space Configuration Interaction Energies with a Simple Correction from Density Functional Theory

Shiela Pijeau and Edward G. Hohenstein

J. Chem. Theory Comput., 2017, 13, 1130
DOI: 10.1021/acs.jctc.6b00893

Excited-State Dynamics of Thioflavin T: Planar Stable Intermediate Revealed by Nuclear Wave Packet Spectroscopies

JunWoo Kim, Dong Eon Kim and Taiha Joo

J. Phys. Chem. A, 2018, 122, 1283
DOI: 10.1021/acs.jpca.7b11951

Triple Emission of 5′-(para-R-Phenylene)vinylene-2-(2′-hydroxyphenyl)benzoxazole (PVHBO). Part I: Dual Emission from the Neutral Species

Quinton J. Meisner, Joseph J. M. Hurley, Peijun Guo, Anna R. Blood, Richard D. Schaller, David J. Gosztola, Gary P. Wiederrecht and Lei Zhu

J. Phys. Chem. A, 2022, 126, 1033
DOI: 10.1021/acs.jpca.1c10165

Coherent Nuclear Wave Packets Generated by Ultrafast Intramolecular Charge-Transfer Reaction

So Young Kim, Chul Hoon Kim, Myeongkee Park, Kyoung Chul Ko, Jin Yong Lee and Taiha Joo

J. Phys. Chem. Lett., 2012, 3, 2761
DOI: 10.1021/jz301141d

Impact and Interplay of Quantum Coherence and Dissipative Dynamics for Isotope Effects in Excited-State Intramolecular Proton Transfer

Brieuc Le Dé, Simon Huppert, Riccardo Spezia and Alex W. Chin

J. Phys. Chem. Lett., 2025, 16, 2514
DOI: 10.1021/acs.jpclett.4c03665

Excited State Intramolecular Proton Transfer Dynamics of 1-Hydroxy-2-acetonaphthone

Jinyong Kim, Wooseok Heo and Taiha Joo

J. Phys. Chem. B, 2015, 119, 2620
DOI: 10.1021/jp5088306

Excited-state intramolecular proton transfer in 10-hydroxybenzoquinoline, 1-hydroxyanthraquinone, methyl salicylate and 4-methyl-2,6-diformyl phenol: a QM/MM–MD study

Md Al Mamunur Rashid, Thamina Acter and Nizam Uddin

Theor Chem Acc, 2023, 142
DOI: 10.1007/s00214-023-03045-1

Illuminating Excited-State Intramolecular Proton Transfer of a Fungi-Derived Red Pigment for Sustainable Functional Materials

Taylor D. Krueger, Janak Solaris, Longteng Tang, Liangdong Zhu, Carter Webber, Ray C. Van Court, Seri C. Robinson, Oksana Ostroverkhova and Chong Fang

J. Phys. Chem. C, 2022, 126, 459
DOI: 10.1021/acs.jpcc.1c09773

Ultrafast nonadiabatic excited-state intramolecular proton transfer in 3-hydroxychromone: A surface hopping approach

Probal Nag, Neethu Anand and Sivaranjana Reddy Vennapusa

The Journal of Chemical Physics, 2021, 155
DOI: 10.1063/5.0060934

Modulating the Photochemistry of Bipyridylic Compounds by Symmetric Substitutions

Juan M. Ortiz‐Sánchez, Ricard Gelabert, Miquel Moreno and José M. Lluch

ChemPhysChem, 2010, 11, 3696
DOI: 10.1002/cphc.201000596

Excited-State Intramolecular Proton Transfer in 2-(2′-Hydroxyphenyl)pyrimidines: Synthesis, Optical Properties, and Theoretical Studies

Rodrigo Plaza-Pedroche, M. Paz Fernández-Liencres, Sonia B. Jiménez-Pulido, Nuria A. Illán-Cabeza, Sylvain Achelle, Amparo Navarro and Julián Rodríguez-López

ACS Appl. Mater. Interfaces, 2022, 14, 24964
DOI: 10.1021/acsami.2c05439

Theoretical insights into ultrafast excited state proton transfer coupled with twisted intramolecular charge transfer mechanism in 7-(2ʹ-pyridyl)indole: Effect of hydrogen bonding

Rusrina Salaeh and Rathawat Daengngern

Journal of Molecular Liquids, 2023, 388, 122707
DOI: 10.1016/j.molliq.2023.122707

Molecular Dynamics of Excited State Intramolecular Charge Transfer in Solution by Coherent Nuclear Wave Packets

Wooseok Heo and Taiha Joo

ChemPhysChem, 2019, 20, 1448
DOI: 10.1002/cphc.201801103

Comprehensive DFT and TD-DFT Studies on the Photophysical Properties of 5,6-Dichloro-1,3-Bis(2-Pyridylimino)-4,7-Dihydroxyisoindole: A New Class of ESIPT Fluorophore

Santosh Kataria, Lydia Rhyman, Ponnadurai Ramasami and Nagaiyan Sekar

J Fluoresc, 2016, 26, 1805
DOI: 10.1007/s10895-016-1872-6

Neutral Carotenoid Radicals in Photoprotection of Wild-Type Arabidopsis thaliana

Adam Magyar, Michael K. Bowman, Péter Molnár and L. Kispert

J. Phys. Chem. B, 2013, 117, 2239
DOI: 10.1021/jp306387e

Coherent and Homogeneous Intramolecular Charge-Transfer Dynamics of 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6), a Rigid Analogue of DMABN

Myeongkee Park, Donghong Im, Young Ho Rhee and Taiha Joo

J. Phys. Chem. A, 2014, 118, 5125
DOI: 10.1021/jp411227r

Exploring Excited State Proton Transfer Dynamics upon Ultraviolet Excitation

Nidhi Kaul, Alfy Benny, Vasilis Petropoulos, Michał Maj, Giulio Cerullo, Margherita Maiuri and Gregory D. Scholes

J. Phys. Chem. A, 2026, 130, 2566
DOI: 10.1021/acs.jpca.5c08622