Vibronic fingerprint of singlet fission in hexacene

Deng, Gang-Hua; Wei, Qianshun; Han, Jian; Qian, Yuqin; Luo, Jun; Harutyunyan, Avetik R.; Chen, Gugang; Bian, Hongtao; Chen, Hanning; Rao, Yi

doi:10.1063/1.5110263

Vibronic fingerprint of singlet fission in hexacene

Journal Article · Mon Aug 05 00:00:00 EDT 2019 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.5110263· OSTI ID:1546868

Deng, Gang-Hua; Wei, Qianshun; Han, Jian; Qian, Yuqin; ; Harutyunyan, Avetik R.; ; ; ;

Singlet fission has the great potential to overcome the Shockley–Queisser thermodynamic limit and thus promotes solar power conversion efficiency. However, the current limited understandings of detailed singlet fission mechanisms hinder a further improved design of versatile singlet fission materials. In the present study, we combined ultrafast transient infrared spectroscopy with ab initio calculations to elucidate the roles played by the vibrational normal modes in the process of singlet fission for hexacene. Our transient infrared experiments revealed three groups of vibrational modes that are prominent in vibronic coupling upon photoexcitation. Through our computational study, those normal modes with notable Franck-Condon shifts have been classified as ring-twisting modes near 1300.0 cm−1, ring-stretching modes near 1600.0 cm−1, and ring-scissoring modes near 1700.0 cm−1. Experimentally, a ring-stretching mode near 1620.0 cm−1 exhibits a significant blue-shift of 4.0 cm−1 during singlet fission, which reaction rate turns out to be 0.59 ± 0.07 ps. More interestingly, the blue-shifted mode was also identified by our functional mode singlet fission theory as the primary driving mode for singlet fission, suggesting the importance of vibronic coupling when a correlated triplet pair of hexacene is directly converted from its first excited state singlet exciton. Our findings indicate that the ultrafast transient infrared spectroscopy, in conjunction with the nonadiabatic transition theory, is a powerful tool to probe the vibronic fingerprint of singlet fission.

View Accepted Manuscript (Publisher)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1546868

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 5 Vol. 151; ISSN 0021-9606

Publisher:: American Institute of PhysicsCopyright Statement

Country of Publication:: United States

Language:: English

References (80)

Theoretical Studies of Singlet Fission: Searching for Materials and Exploring Mechanisms Japahuge, Achini; Zeng, Tao ChemPlusChem, Vol. 83, Issue 4 https://doi.org/10.1002/cplu.201700489	journal	February 2018
Development and testing of a general amber force field Wang, Junmei; Wolf, Romain M.; Caldwell, James W. Journal of Computational Chemistry, Vol. 25, Issue 9 https://doi.org/10.1002/jcc.20035	journal	January 2004
Fission of singlet excitons into pairs of triplet excitons in tetracene crystals Merrifield, R. E.; Avakian, P.; Groff, R. P. Chemical Physics Letters, Vol. 3, Issue 3 https://doi.org/10.1016/0009-2614(69)80122-3	journal	March 1969
Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme Warshel, A.; Levitt, M. Journal of Molecular Biology, Vol. 103, Issue 2 https://doi.org/10.1016/0022-2836(76)90311-9	journal	May 1976
Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach VandeVondele, Joost; Krack, Matthias; Mohamed, Fawzi Computer Physics Communications, Vol. 167, Issue 2 https://doi.org/10.1016/j.cpc.2004.12.014	journal	April 2005
Ultrafast and long-lived photoinduced charge separation in MEH-PPV/nanoporous semiconductor thin film composites Anderson, Neil A.; Hao, Encai; Ai, Xin Chemical Physics Letters, Vol. 347, Issue 4-6 https://doi.org/10.1016/s0009-2614(01)01065-x	journal	October 2001
Triplet formation and decay in conjugated polymer devices Dhoot, A. S.; Ginger, D. S.; Beljonne, D. Chemical Physics Letters, Vol. 360, Issue 3-4 https://doi.org/10.1016/s0009-2614(02)00840-0	journal	July 2002
Theoretical Modeling of Singlet Fission Casanova, David Chemical Reviews, Vol. 118, Issue 15 https://doi.org/10.1021/acs.chemrev.7b00601	journal	April 2018
Structural Dynamics of Dimethyl Sulfoxide Aqueous Solutions Investigated by Ultrafast Infrared Spectroscopy: Using Thiocyanate Anion as a Local Vibrational Probe Wei, Qianshun; Zhou, Dexia; Li, Xiaoqian The Journal of Physical Chemistry B, Vol. 122, Issue 50 https://doi.org/10.1021/acs.jpcb.8b10058	journal	November 2018
Functional Mode Singlet Fission Theory Elenewski, Justin E.; Cubeta, Ulyana S.; Ko, Edward The Journal of Physical Chemistry C, Vol. 121, Issue 8 https://doi.org/10.1021/acs.jpcc.6b11722	journal	February 2017
Computer Simulation of Singlet Fission in Single Crystalline Pentacene by Functional Mode Vibronic Theory Elenewski, Justin E.; Cubeta, Ulyana S.; Ko, Edward The Journal of Physical Chemistry C, Vol. 121, Issue 21 https://doi.org/10.1021/acs.jpcc.7b03107	journal	May 2017
Substituent Effects on Singlet Exciton Fission in Polycrystalline Thin Films of Cyano-Substituted Diaryltetracenes Margulies, Eric A.; Kerisit, Nicolas; Gawel, Przemyslaw The Journal of Physical Chemistry C, Vol. 121, Issue 39 https://doi.org/10.1021/acs.jpcc.7b07870	journal	September 2017
Direct Observation of Correlated Triplet Pair Dynamics during Singlet Fission Using Ultrafast Mid-IR Spectroscopy Grieco, Christopher; Kennehan, Eric R.; Kim, Hwon The Journal of Physical Chemistry C, Vol. 122, Issue 4 https://doi.org/10.1021/acs.jpcc.7b11228	journal	January 2018
Is Vibrational Coherence a Byproduct of Singlet Exciton Fission? Andrzejak, Marcin; Skóra, Tomasz; Petelenz, Piotr The Journal of Physical Chemistry C, Vol. 123, Issue 1 https://doi.org/10.1021/acs.jpcc.8b09124	journal	December 2018
Density Analysis of Intra- and Intermolecular Vibronic Couplings toward Bath Engineering for Singlet Fission Ito, Soichi; Nagami, Takanori; Nakano, Masayoshi The Journal of Physical Chemistry Letters, Vol. 6, Issue 24 https://doi.org/10.1021/acs.jpclett.5b02249	journal	December 2015
Observation of Two Triplet-Pair Intermediates in Singlet Exciton Fission Pensack, Ryan D.; Ostroumov, Evgeny E.; Tilley, Andrew J. The Journal of Physical Chemistry Letters, Vol. 7, Issue 13 https://doi.org/10.1021/acs.jpclett.6b00947	journal	June 2016
Ab Initio Transient Vibrational Spectral Analysis Petrone, Alessio; Lingerfelt, David B.; Williams-Young, David B. The Journal of Physical Chemistry Letters, Vol. 7, Issue 22 https://doi.org/10.1021/acs.jpclett.6b02292	journal	October 2016
Evidence for Singlet Fission Driven by Vibronic Coherence in Crystalline Tetracene Morrison, Adrian F.; Herbert, John M. The Journal of Physical Chemistry Letters, Vol. 8, Issue 7 https://doi.org/10.1021/acs.jpclett.7b00230	journal	March 2017
Quantum Interference in Singlet Fission: J- and H-Aggregate Behavior Zang, Hang; Zhao, Yi; Liang, WanZhen The Journal of Physical Chemistry Letters, Vol. 8, Issue 20 https://doi.org/10.1021/acs.jpclett.7b01996	journal	October 2017
Harnessing Molecular Vibrations to Probe Triplet Dynamics During Singlet Fission Grieco, Christopher; Kennehan, Eric R.; Rimshaw, Adam The Journal of Physical Chemistry Letters, Vol. 8, Issue 23 https://doi.org/10.1021/acs.jpclett.7b02434	journal	November 2017
Controlling Long-Lived Triplet Generation from Intramolecular Singlet Fission in the Solid State Pace, Natalie A.; Zhang, Weimin; Arias, Dylan H. The Journal of Physical Chemistry Letters, Vol. 8, Issue 24 https://doi.org/10.1021/acs.jpclett.7b02750	journal	December 2017
Polariton-Assisted Singlet Fission in Acene Aggregates Martínez-Martínez, Luis A.; Du, Matthew; Ribeiro, Raphael F. The Journal of Physical Chemistry Letters, Vol. 9, Issue 8 https://doi.org/10.1021/acs.jpclett.8b00008	journal	March 2018
Counterion Effect on Vibrational Relaxation and the Rotational Dynamics of Interfacial Water and an Anionic Vibrational Probe in the Confined Reverse Micelles Environment Zhou, Dexia; Wei, Qianshun; Wang, Shuyan The Journal of Physical Chemistry Letters, Vol. 10, Issue 2 https://doi.org/10.1021/acs.jpclett.8b03389	journal	December 2018
Singlet Fission Smith, Millicent B.; Michl, Josef Chemical Reviews, Vol. 110, Issue 11 https://doi.org/10.1021/cr1002613	journal	November 2010
Constrained Density Functional Theory Kaduk, Benjamin; Kowalczyk, Tim; Van Voorhis, Troy Chemical Reviews, Vol. 112, Issue 1 https://doi.org/10.1021/cr200148b	journal	November 2011
An Efficient Real Space Multigrid QM/MM Electrostatic Coupling Laino, Teodoro; Mohamed, Fawzi; Laio, Alessandro Journal of Chemical Theory and Computation, Vol. 1, Issue 6 https://doi.org/10.1021/ct050123f	journal	November 2005
Performance of an Optimally Tuned Range-Separated Hybrid Functional for 0–0 Electronic Excitation Energies Jacquemin, Denis; Moore, Barry; Planchat, Aurélien Journal of Chemical Theory and Computation, Vol. 10, Issue 4 https://doi.org/10.1021/ct5000617	journal	March 2014
Dipole Moments, Polarizabilities, and Infrared Intensities Calculated with Electric Field Dependent Functions Darling, Cynthia L.; Schlegel, H. Bernhard The Journal of Physical Chemistry, Vol. 98, Issue 23 https://doi.org/10.1021/j100074a008	journal	June 1994
Ultrafast Dynamics of Exciton Fission in Polycrystalline Pentacene Wilson, Mark W. B.; Rao, Akshay; Clark, Jenny Journal of the American Chemical Society, Vol. 133, Issue 31 https://doi.org/10.1021/ja201688h	journal	August 2011
Mechanism for Singlet Fission in Pentacene and Tetracene: From Single Exciton to Two Triplets Zimmerman, Paul M.; Bell, Franziska; Casanova, David Journal of the American Chemical Society, Vol. 133, Issue 49 https://doi.org/10.1021/ja208431r	journal	December 2011
Quantum Beats in Crystalline Tetracene Delayed Fluorescence Due to Triplet Pair Coherences Produced by Direct Singlet Fission Burdett, Jonathan J.; Bardeen, Christopher J. Journal of the American Chemical Society, Vol. 134, Issue 20 https://doi.org/10.1021/ja301683w	journal	May 2012
Singlet Exciton Fission in Polycrystalline Thin Films of a Slip-Stacked Perylenediimide Eaton, Samuel W.; Shoer, Leah E.; Karlen, Steven D. Journal of the American Chemical Society, Vol. 135, Issue 39 https://doi.org/10.1021/ja4053174	journal	September 2013
Activated Singlet Exciton Fission in a Semiconducting Polymer Musser, Andrew J.; Al-Hashimi, Mohammed; Maiuri, Margherita Journal of the American Chemical Society, Vol. 135, Issue 34 https://doi.org/10.1021/ja405427j	journal	August 2013
The Low-Lying Electronic States of Pentacene and Their Roles in Singlet Fission Zeng, Tao; Hoffmann, Roald; Ananth, Nandini Journal of the American Chemical Society, Vol. 136, Issue 15 https://doi.org/10.1021/ja500887a	journal	April 2014
Multiphonon Relaxation Slows Singlet Fission in Crystalline Hexacene Busby, Erik; Berkelbach, Timothy C.; Kumar, Bharat Journal of the American Chemical Society, Vol. 136, Issue 30 https://doi.org/10.1021/ja503980c	journal	July 2014
Captodatively Stabilized Biradicaloids as Chromophores for Singlet Fission Wen, Jin; Havlas, Zdenĕk; Michl, Josef Journal of the American Chemical Society, Vol. 137, Issue 1 https://doi.org/10.1021/ja5070476	journal	December 2014
Barrierless Free Carrier Formation in an Organic Photovoltaic Material Measured with Ultrafast Vibrational Spectroscopy Pensack, Ryan D.; Asbury, John B. Journal of the American Chemical Society, Vol. 131, Issue 44 https://doi.org/10.1021/ja906293q	journal	November 2009
Near-IR Femtosecond Transient Absorption Spectroscopy of Ultrafast Polaron and Triplet Exciton Formation in Polythiophene Films with Different Regioregularities Guo, Jiamo; Ohkita, Hideo; Benten, Hiroaki Journal of the American Chemical Society, Vol. 131, Issue 46 https://doi.org/10.1021/ja906621a	journal	November 2009
Elucidation of Excitation Energy Dependent Correlated Triplet Pair Formation Pathways in an Endothermic Singlet Fission System Thampi, Arya; Stern, Hannah L.; Cheminal, Alexandre Journal of the American Chemical Society, Vol. 140, Issue 13 https://doi.org/10.1021/jacs.7b06274	journal	December 2017
Packing Guidelines for Optimizing Singlet Fission Matrix Elements in Noncovalent Dimers Buchanan, Eric A.; Michl, Josef Journal of the American Chemical Society, Vol. 139, Issue 44 https://doi.org/10.1021/jacs.7b07963	journal	October 2017
Singlet Fission Involves an Interplay between Energetic Driving Force and Electronic Coupling in Perylenediimide Films Le, Aaron K.; Bender, Jon A.; Arias, Dylan H. Journal of the American Chemical Society, Vol. 140, Issue 2 https://doi.org/10.1021/jacs.7b11888	journal	January 2018
Long-Lived Correlated Triplet Pairs in a π-Stacked Crystalline Pentacene Derivative Folie, Brendan D.; Haber, Jonah B.; Refaely-Abramson, Sivan Journal of the American Chemical Society, Vol. 140, Issue 6 https://doi.org/10.1021/jacs.7b12662	journal	February 2018
Singlet Fission in Covalent Terrylenediimide Dimers: Probing the Nature of the Multiexciton State Using Femtosecond Mid-Infrared Spectroscopy Chen, Michelle; Bae, Youn Jue; Mauck, Catherine M. Journal of the American Chemical Society, Vol. 140, Issue 29 https://doi.org/10.1021/jacs.8b04830	journal	June 2018
Functional Mode Electron-Transfer Theory Chen, Hanning The Journal of Physical Chemistry B, Vol. 118, Issue 27 https://doi.org/10.1021/jp504418c	journal	June 2014
Exploring Non-Condon Effects in a Covalent Tetracene Dimer: How Important Are Vibrations in Determining the Electronic Coupling for Singlet Fission? Alguire, Ethan C.; Subotnik, Joseph E.; Damrauer, Niels H. The Journal of Physical Chemistry A, Vol. 119, Issue 2 https://doi.org/10.1021/jp510777c	journal	December 2014
Maximizing Singlet Fission in Organic Dimers: Theoretical Investigation of Triplet Yield in the Regime of Localized Excitation and Fast Coherent Electron Transfer ^† Greyson, Eric C.; Vura-Weis, Josh; Michl, Josef The Journal of Physical Chemistry B, Vol. 114, Issue 45 https://doi.org/10.1021/jp907392q	journal	November 2010
Intermolecular Vibrational Modes Speed Up Singlet Fission in Perylenediimide Crystals Renaud, Nicolas; Grozema, Ferdinand C. The Journal of Physical Chemistry Letters, Vol. 6, Issue 3 https://doi.org/10.1021/jz5023575	journal	January 2015
Harnessing singlet exciton fission to break the Shockley–Queisser limit Rao, Akshay; Friend, Richard H. Nature Reviews Materials, Vol. 2, Issue 11 https://doi.org/10.1038/natrevmats.2017.63	journal	October 2017
The synthesis, crystal structure and charge-transport properties of hexacene Watanabe, Motonori; Chang, Yuan Jay; Liu, Shun-Wei Nature Chemistry, Vol. 4, Issue 7 https://doi.org/10.1038/nchem.1381	journal	June 2012
The energy barrier in singlet fission can be overcome through coherent coupling and entropic gain Chan, Wai-Lun; Ligges, Manuel; Zhu, X-Y. Nature Chemistry, Vol. 4, Issue 10 https://doi.org/10.1038/nchem.1436	journal	August 2012
Singlet exciton fission in solution Walker, Brian J.; Musser, Andrew J.; Beljonne, David Nature Chemistry, Vol. 5, Issue 12 https://doi.org/10.1038/nchem.1801	journal	November 2013
A transferable model for singlet-fission kinetics Yost, Shane R.; Lee, Jiye; Wilson, Mark W. B. Nature Chemistry, Vol. 6, Issue 6 https://doi.org/10.1038/nchem.1945	journal	May 2014
Cooperative singlet and triplet exciton transport in tetracene crystals visualized by ultrafast microscopy Wan, Yan; Guo, Zhi; Zhu, Tong Nature Chemistry, Vol. 7, Issue 10 https://doi.org/10.1038/nchem.2348	journal	September 2015
Real-time observation of multiexcitonic states in ultrafast singlet fission using coherent 2D electronic spectroscopy Bakulin, Artem A.; Morgan, Sarah E.; Kehoe, Tom B. Nature Chemistry, Vol. 8, Issue 1 https://doi.org/10.1038/nchem.2371	journal	October 2015
Dynamics of the triplet-pair state reveals the likely coexistence of coherent and incoherent singlet fission in crystalline hexacene Monahan, Nicholas R.; Sun, Dezheng; Tamura, Hiroyuki Nature Chemistry, Vol. 9, Issue 4 https://doi.org/10.1038/nchem.2665	journal	December 2016
Coherent singlet fission activated by symmetry breaking Miyata, Kiyoshi; Kurashige, Yuki; Watanabe, Kazuya Nature Chemistry, Vol. 9, Issue 10 https://doi.org/10.1038/nchem.2784	journal	May 2017
Vibronically coherent ultrafast triplet-pair formation and subsequent thermally activated dissociation control efficient endothermic singlet fission Stern, Hannah L.; Cheminal, Alexandre; Yost, Shane R. Nature Chemistry, Vol. 9, Issue 12 https://doi.org/10.1038/nchem.2856	journal	September 2017
Singlet fission in pentacene through multi-exciton quantum states Zimmerman, Paul M.; Zhang, Zhiyong; Musgrave, Charles B. Nature Chemistry, Vol. 2, Issue 8 https://doi.org/10.1038/nchem.694	journal	June 2010
Tuning the role of charge-transfer states in intramolecular singlet exciton fission through side-group engineering Lukman, Steven; Chen, Kai; Hodgkiss, Justin M. Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms13622	journal	December 2016
Tracking the coherent generation of polaron pairs in conjugated polymers De Sio, Antonietta; Troiani, Filippo; Maiuri, Margherita Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms13742	journal	December 2016
The entangled triplet pair state in acene and heteroacene materials Yong, Chaw Keong; Musser, Andrew J.; Bayliss, Sam L. Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms15953	journal	July 2017
Evidence for conical intersection dynamics mediating ultrafast singlet exciton fission Musser, Andrew J.; Liebel, Matz; Schnedermann, Christoph Nature Physics, Vol. 11, Issue 4 https://doi.org/10.1038/nphys3241	journal	March 2015
New insights into the design of conjugated polymers for intramolecular singlet fission Hu, Jiahua; Xu, Ke; Shen, Lei Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-05389-w	journal	July 2018
Ultrafast vibrational spectroscopy of charge-carrier dynamics in organic photovoltaic materials Pensack, Ryan D.; Banyas, Kyle M.; Barbour, Larry W. Physical Chemistry Chemical Physics, Vol. 11, Issue 15 https://doi.org/10.1039/b817113k	journal	January 2009
Efficient solution of Poisson’s equation with free boundary conditions Genovese, Luigi; Deutsch, Thierry; Neelov, Alexey The Journal of Chemical Physics, Vol. 125, Issue 7 https://doi.org/10.1063/1.2335442	journal	August 2006
Complex time dependent wave packet technique for thermal equilibrium systems: Electronic spectra Reimers, Jeffrey R.; Wilson, Kent R.; Heller, Eric J. The Journal of Chemical Physics, Vol. 79, Issue 10 https://doi.org/10.1063/1.445618	journal	November 1983
Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response properties Woon, David E.; Dunning, Thom H. The Journal of Chemical Physics, Vol. 100, Issue 4 https://doi.org/10.1063/1.466439	journal	February 1994
Microscopic theory of singlet exciton fission. II. Application to pentacene dimers and the role of superexchange Berkelbach, Timothy C.; Hybertsen, Mark S.; Reichman, David R. The Journal of Chemical Physics, Vol. 138, Issue 11 https://doi.org/10.1063/1.4794427	journal	March 2013
Polarization-dependent exciton dynamics in tetracene single crystals Zhang, Bo; Zhang, Chunfeng; Xu, Yanqing The Journal of Chemical Physics, Vol. 141, Issue 24 https://doi.org/10.1063/1.4904385	journal	December 2014
Effect of high-frequency modes on singlet fission dynamics Fujihashi, Yuta; Chen, Lipeng; Ishizaki, Akihito The Journal of Chemical Physics, Vol. 146, Issue 4 https://doi.org/10.1063/1.4973981	journal	January 2017
Vibronic exciton theory of singlet fission. I. Linear absorption and the anatomy of the correlated triplet pair state Tempelaar, Roel; Reichman, David R. The Journal of Chemical Physics, Vol. 146, Issue 17 https://doi.org/10.1063/1.4982362	journal	May 2017
Vibrational Relaxation and Dephasing in Organic Solids Prasad, Paras N. Molecular Crystals and Liquid Crystals, Vol. 58, Issue 1-2 https://doi.org/10.1080/01406568008070149	journal	February 1980
Direct evidence of photoinduced electron transfer in conducting-polymer– C 60 composites by infrared photoexcitation spectroscopy Lee, Kwanghee; Janssen, Rene A. J.; Sariciftci, N. S. Physical Review B, Vol. 49, Issue 8 https://doi.org/10.1103/physrevb.49.5781	journal	February 1994
Separable dual-space Gaussian pseudopotentials Goedecker, S.; Teter, M.; Hutter, J. Physical Review B, Vol. 54, Issue 3 https://doi.org/10.1103/physrevb.54.1703	journal	July 1996
Photoexcitation dynamics and laser action in solutions and films of PPE-PPV copolymer Tong, M.; Sheng, C. X.; Yang, C. Physical Review B, Vol. 69, Issue 15 https://doi.org/10.1103/physrevb.69.155211	journal	April 2004
First-Principles Quantum Dynamics of Singlet Fission: Coherent versus Thermally Activated Mechanisms Governed by Molecular π Stacking Tamura, Hiroyuki; Huix-Rotllant, Miquel; Burghardt, Irene Physical Review Letters, Vol. 115, Issue 10 https://doi.org/10.1103/physrevlett.115.107401	journal	August 2015
Observing the Multiexciton State in Singlet Fission and Ensuing Ultrafast Multielectron Transfer Chan, W. -L.; Ligges, M.; Jailaubekov, A. Science, Vol. 334, Issue 6062 https://doi.org/10.1126/science.1213986	journal	December 2011
Progress in Time-Dependent Density-Functional Theory Casida, M. E.; Huix-Rotllant, M. Annual Review of Physical Chemistry, Vol. 63, Issue 1 https://doi.org/10.1146/annurev-physchem-032511-143803	journal	May 2012
Chemical and Electrochemical Electron-Transfer Theory Marcus, R. A. Annual Review of Physical Chemistry, Vol. 15, Issue 1 https://doi.org/10.1146/annurev.pc.15.100164.001103	journal	October 1964
Detection of Functional Modes in Protein Dynamics Hub, Jochen S.; de Groot, Bert L. PLoS Computational Biology, Vol. 5, Issue 8 https://doi.org/10.1371/journal.pcbi.1000480	journal	August 2009

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