Michael Thomas Ruggiero - Publications

Affiliations: 
Chemistry University of Vermont, Burlington, VT, United States 
Area:
terahertz, density functional theory, X-ray diffraction, crystals, optics

48 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Banks PA, Kleist EM, Ruggiero MT. Investigating the function and design of molecular materials through terahertz vibrational spectroscopy. Nature Reviews. Chemistry. 7: 480-495. PMID 37414981 DOI: 10.1038/s41570-023-00487-w  0.768
2022 Stephens AD, Kölbel J, Moons R, Chung CW, Ruggiero MT, Mahmoudi N, Shmool TA, McCoy TM, Nietlispach D, Routh AF, Sobott F, Zeitler JA, Schierle G. Decreased Water Mobility Contributes To Increased α-Synuclein Aggregation. Angewandte Chemie (International Ed. in English). PMID 36316279 DOI: 10.1002/anie.202212063  0.447
2022 Banks PA, Dyer AM, Whalley AC, Ruggiero MT. Side-chain torsional dynamics strongly influence charge transport in organic semiconductors. Chemical Communications (Cambridge, England). PMID 36263488 DOI: 10.1039/d2cc04979a  0.586
2021 Song Z, Liu X, Ochani A, Shen S, Li Q, Sun Y, Ruggiero MT. Low-frequency vibrational spectroscopy: a new tool for revealing crystalline magnetic structures in iron phosphate crystals. Physical Chemistry Chemical Physics : Pccp. PMID 34610061 DOI: 10.1039/d1cp03424c  0.325
2021 Banks PA, Burgess L, Ruggiero MT. The necessity of periodic boundary conditions for the accurate calculation of crystalline terahertz spectra. Physical Chemistry Chemical Physics : Pccp. PMID 34518858 DOI: 10.1039/d1cp02496e  0.603
2021 Stephens AD, Qaisrani MN, Ruggiero MT, Díaz Mirón G, Morzan UN, González Lebrero MC, Jones STE, Poli E, Bond AD, Woodhams PJ, Kleist EM, Grisanti L, Gebauer R, Zeitler JA, Credgington D, et al. Short hydrogen bonds enhance nonaromatic protein-related fluorescence. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34001606 DOI: 10.1073/pnas.2020389118  0.731
2020 Hutereau M, Banks PA, Slater B, Zeitler JA, Bond AD, Ruggiero MT. Resolving Anharmonic Lattice Dynamics in Molecular Crystals with X-Ray Diffraction and Terahertz Spectroscopy. Physical Review Letters. 125: 103001. PMID 32955315 DOI: 10.1103/Physrevlett.125.103001  0.747
2020 Hoshina H, Kanemura T, Ruggiero MT. Exploring the Dynamics of Bound Water in Nylon Polymers with Terahertz Spectroscopy. The Journal of Physical Chemistry. B. 124: 422-429. PMID 31860308 DOI: 10.1021/Acs.Jpcb.9B10058  0.377
2020 Banks PA, Maul J, Mancini MT, Whalley AC, Erba A, Ruggiero MT. Thermoelasticity in organic semiconductors determined with terahertz spectroscopy and quantum quasi-harmonic simulations Journal of Materials Chemistry C. 8: 10917-10925. DOI: 10.1039/D0Tc01676D  0.453
2020 Zhang W, Song Z, Ruggiero MT, Mittleman DM. Terahertz Vibrational Motions Mediate Gas-Uptake in Organic Clathrates Crystal Growth & Design. 20: 5638-5643. DOI: 10.1021/Acs.Cgd.0C00797  0.322
2020 Banks PA, Song Z, Ruggiero MT. Assessing the Performance of Density Functional Theory Methods on the Prediction of Low-Frequency Vibrational Spectra Journal of Infrared, Millimeter, and Terahertz Waves. 1-19. DOI: 10.1007/S10762-020-00700-7  0.467
2020 Zhang W, Song Z, Ruggiero MT, Mittleman DM. Assignment of Terahertz Modes in Hydroquinone Clathrates Journal of Infrared, Millimeter, and Terahertz Waves. 1-11. DOI: 10.1007/S10762-020-00670-W  0.411
2020 Ruggiero MT. Invited Review: Modern Methods for Accurately Simulating the Terahertz Spectra of Solids Journal of Infrared, Millimeter, and Terahertz Waves. 41: 491-528. DOI: 10.1007/S10762-019-00648-3  0.4
2019 Schweicher G, D'Avino G, Ruggiero MT, Harkin DJ, Broch K, Venkateshvaran D, Liu G, Richard A, Ruzié C, Armstrong J, Kennedy AR, Shankland K, Takimiya K, Geerts YH, Zeitler JA, et al. Chasing the "Killer" Phonon Mode for the Rational Design of Low-Disorder, High-Mobility Molecular Semiconductors. Advanced Materials (Deerfield Beach, Fla.). e1902407. PMID 31512304 DOI: 10.1002/Adma.201902407  0.618
2019 Kissi EO, Ruggiero MT, Hempel NJ, Song Z, Grohganz H, Rades T, Löbmann K. Characterising glass transition temperatures and glass dynamics in mesoporous silica-based amorphous drugs. Physical Chemistry Chemical Physics : Pccp. PMID 31469369 DOI: 10.1039/C9Cp01764J  0.315
2019 Fan S, Ruggiero MT, Song Z, Qian Z, Wallace VP. Correlation between saturated fatty acid chain-length and intermolecular forces determined with terahertz spectroscopy. Chemical Communications (Cambridge, England). PMID 30855614 DOI: 10.1039/C9Cc00141G  0.403
2019 Hou J, Sutrisna P, Wang T, Gao S, Li Q, Zhou C, Sun S, Yang HC, Wei F, Ruggiero MT, Zeitler JA, Cheetham AK, Liang K, Chen V. Unraveling the interfacial structure-performance correlation of flexible metal-organic framework membranes on polymeric substrates. Acs Applied Materials & Interfaces. PMID 30628780 DOI: 10.1021/Acsami.8B20570  0.57
2019 Ruggiero MT, Ciuchi S, Fratini S, D’Avino G. Electronic Structure, Electron-Phonon Coupling, and Charge Transport in Crystalline Rubrene Under Mechanical Strain Journal of Physical Chemistry C. 123: 15897-15907. DOI: 10.1021/Acs.Jpcc.9B01902  0.328
2019 Azzarelli N, Ponnala S, Aguirre A, Dampf SJ, Davis MP, Ruggiero MT, Lopez Diaz V, Babich JW, Coogan M, Korter T, Doyle RP, Zubieta J. Defining the origins of multiple emission/excitation in rhenium-bisthiazole complexes Inorganica Chimica Acta. 489: 301-309. DOI: 10.1016/J.Ica.2019.01.028  0.603
2018 Adjiman CS, Brandenburg JG, Braun DE, Cole J, Collins C, Cooper AI, Cruz-Cabeza AJ, Day GM, Dudek M, Hare A, Iuzzolino L, McKay D, Mitchell JBO, Mohamed S, Neelamraju S, ... ... Ruggiero MT, et al. Applications of crystal structure prediction - organic molecular structures: general discussion. Faraday Discussions. PMID 30285020 DOI: 10.1039/C8Fd90032A  0.314
2018 Ruggiero MT, Kölbel J, Li Q, Zeitler JA. Predicting the structures and associated phase transition mechanisms in disordered crystals via a combination of experimental and theoretical methods. Faraday Discussions. PMID 30027978 DOI: 10.1039/C8Fd00042E  0.645
2018 Ruggiero MT, Zhang W, Bond AD, Mittleman DM, Zeitler JA. Uncovering the Connection Between Low-Frequency Dynamics and Phase Transformation Phenomena in Molecular Solids. Physical Review Letters. 120: 196002. PMID 29799217 DOI: 10.1103/Physrevlett.120.196002  0.646
2018 Li Q, Zaczek AJ, Korter TM, Zeitler JA, Ruggiero MT. Methyl-rotation dynamics in metal-organic frameworks probed with terahertz spectroscopy. Chemical Communications (Cambridge, England). PMID 29781477 DOI: 10.1039/C8Cc02650E  0.754
2018 Kissi EO, Grohganz H, Löbmann K, Ruggiero MT, Zeitler JA, Rades T. Glass-Transition Temperature of the β-Relaxation as the Major Predictive Parameter for Recrystallization of Neat Amorphous Drugs. The Journal of Physical Chemistry. B. 122: 2803-2808. PMID 29498523 DOI: 10.1021/Acs.Jpcb.7B10105  0.532
2018 Sun Y, Degl’Innocenti R, Ritchie DA, Beere HE, Xiao L, Ruggiero M, Zeitler JA, Stantchev RI, Chen D, Peng Z, MacPherson E, Liu X. Graphene-loaded metal wire grating for deep and broadband THz modulation in total internal reflection geometry Photonics Research. 6: 1151-1157. DOI: 10.1364/Prj.6.001151  0.512
2018 Zhang W, Maul J, Vulpe D, Moghadam PZ, Fairen-Jimenez D, Mittleman DM, Zeitler JA, Erba A, Ruggiero MT. Probing the Mechanochemistry of Metal–Organic Frameworks with Low-Frequency Vibrational Spectroscopy Journal of Physical Chemistry C. 122: 27442-27450. DOI: 10.1021/Acs.Jpcc.8B08334  0.614
2018 Ruggiero MT, Sutton JJ, Fraser-Miller SJ, Zaczek AJ, Korter TM, Gordon KC, Zeitler JA. Revisiting the Thermodynamic Stability of Indomethacin Polymorphs with Low-Frequency Vibrational Spectroscopy and Quantum Mechanical Simulations Crystal Growth & Design. 18: 6513-6520. DOI: 10.1021/Acs.Cgd.8B00623  0.778
2017 Ruggiero MT, Krynski M, Kissi EO, Sibik J, Markl D, Tan NY, Arslanov D, van der Zande W, Redlich B, Korter TM, Grohganz H, Löbmann K, Rades T, Elliott SR, Zeitler JA. The significance of the amorphous potential energy landscape for dictating glassy dynamics and driving solid-state crystallisation. Physical Chemistry Chemical Physics : Pccp. PMID 29094742 DOI: 10.1039/C7Cp06664C  0.737
2017 Ruggiero MT, Axel Zeitler J, Korter TM. Concomitant polymorphism and the martensitic-like transformation of an organic crystal. Physical Chemistry Chemical Physics : Pccp. PMID 29043323 DOI: 10.1039/C7Cp04666A  0.634
2017 Ruggiero MT, Sibik J, Erba A, Zeitler JA, Korter TM. Quantification of cation-anion interactions in crystalline monopotassium and monosodium glutamate salts. Physical Chemistry Chemical Physics : Pccp. PMID 29043315 DOI: 10.1039/C7Cp05544G  0.719
2017 Ruggiero MT, Zeitler JA, Erba A. Intermolecular anharmonicity in molecular crystals: interplay between experimental low-frequency dynamics and quantum quasi-harmonic simulations of solid purine. Chemical Communications (Cambridge, England). 53: 3781-3784. PMID 28304040 DOI: 10.1039/C7Cc00509A  0.639
2017 Larsen AS, Ruggiero MT, Johansson KE, Zeitler JA, Rantanen J. Tracking Dehydration Mechanisms in Crystalline Hydrates with Molecular Dynamics Simulations Crystal Growth & Design. 17: 5017-5022. DOI: 10.1021/Acs.Cgd.7B00889  0.626
2016 Ruggiero MT, Zeitler JA. Resolving the Origins of Crystalline Anharmonicity Using Terahertz Time-Domain Spectroscopy and ab Initio Simulations. The Journal of Physical Chemistry. B. 120: 11733-11739. PMID 27766874 DOI: 10.1021/Acs.Jpcb.6B10248  0.648
2016 Ruggiero MT, Sibik J, Zeitler JA, Korter TM. Examination of L-Glutamic Acid Polymorphs by Solid-State Density Functional Theory and Terahertz Spectroscopy. The Journal of Physical Chemistry. A. PMID 27588684 DOI: 10.1021/Acs.Jpca.6B05702  0.721
2016 Ruggiero MT, Sibik J, Orlando R, Zeitler JA, Korter TM. Measuring the Elasticity of Poly-l-Proline Helices with Terahertz Spectroscopy. Angewandte Chemie (International Ed. in English). PMID 27121300 DOI: 10.1002/Anie.201602268  0.701
2016 Ruggiero MT, Korter TM. The crucial role of water in shaping low-barrier hydrogen bonds. Physical Chemistry Chemical Physics : Pccp. 18: 5521-5528. PMID 26863080 DOI: 10.1039/C5Cp07760E  0.606
2016 Ruggiero MT, Gooch J, Zubieta J, Korter TM. Evaluation of Range-Corrected Density Functionals for the Simulation of Pyridinium-Containing Molecular Crystals. The Journal of Physical Chemistry. A. PMID 26814572 DOI: 10.1021/Acs.Jpca.5B11458  0.634
2016 Ruggiero MT, Korter TM. Uncovering the Terahertz Spectrum of Copper Sulfate Pentahydrate. The Journal of Physical Chemistry. A. PMID 26730508 DOI: 10.1021/Acs.Jpca.5B10063  0.64
2016 Ruggiero MT, Sibik J, Orlando R, Zeitler JA, Korter TM. Inside Cover: Measuring the Elasticity of Poly-l-Proline Helices with Terahertz Spectroscopy (Angew. Chem. Int. Ed. 24/2016) Angewandte Chemie International Edition. 55: 6796-6796. DOI: 10.1002/Anie.201603825  0.669
2016 Ruggiero MT, Sibik J, Orlando R, Zeitler JA, Korter TM. Innentitelbild: Measuring the Elasticity of Poly-l-Proline Helices with Terahertz Spectroscopy (Angew. Chem. 24/2016) Angewandte Chemie. 128: 6908-6908. DOI: 10.1002/Ange.201603825  0.668
2015 Ruggiero MT, Erba A, Orlando R, Korter TM. Origins of contrasting copper coordination geometries in crystalline copper sulfate pentahydrate. Physical Chemistry Chemical Physics : Pccp. PMID 26531762 DOI: 10.1039/C5Cp05554G  0.63
2015 Erba A, Ruggiero MT, Korter TM, Dovesi R. Piezo-optic tensor of crystals from quantum-mechanical calculations. The Journal of Chemical Physics. 143: 144504. PMID 26472386 DOI: 10.1063/1.4932973  0.589
2015 Tan NY, Ruggiero MT, Orellana-Tavra C, Tian T, Bond AD, Korter TM, Fairen-Jimenez D, Axel Zeitler J. Investigation of the terahertz vibrational modes of ZIF-8 and ZIF-90 with terahertz time-domain spectroscopy. Chemical Communications (Cambridge, England). PMID 26340410 DOI: 10.1039/C5Cc06455D  0.635
2015 Ruggiero MT, Bardon T, Strlič M, Taday PF, Korter TM. The role of terahertz polariton absorption in the characterization of crystalline iron sulfate hydrates. Physical Chemistry Chemical Physics : Pccp. 17: 9326-34. PMID 25760695 DOI: 10.1039/C5Cp01195G  0.582
2015 Nickel DV, Ruggiero MT, Korter TM, Mittleman DM. Terahertz disorder-localized rotational modes and lattice vibrational modes in the orientationally-disordered and ordered phases of camphor. Physical Chemistry Chemical Physics : Pccp. 17: 6734-40. PMID 25461482 DOI: 10.1039/C4Cp04947K  0.628
2015 Tan NY, Ruggiero MT, Orellana C, Tian T, Bond AD, Korter TM, Fairen-Jimenez D, Zeitler JA. Investigation of the terahertz vibrational modes of ZIF-8 and ZIF-90 with terahertz time-domain spectroscopy Irmmw-Thz 2015 - 40th International Conference On Infrared, Millimeter, and Terahertz Waves. DOI: 10.1109/IRMMW-THz.2015.7327716  0.693
2015 Nickel DV, Ruggiero MT, Korter TM, Mittleman DM. Terahertz disorder-localized rotational modes and lattice vibrational modes in the orientationally-disordered and ordered phases of camphor Physical Chemistry Chemical Physics. 17: 6734-6740. DOI: 10.1039/c4cp04947k  0.536
2014 Ruggiero MT, Bardon T, Strlič M, Taday PF, Korter TM. Assignment of the terahertz spectra of crystalline copper sulfate and its hydrates via solid-state density functional theory Journal of Physical Chemistry A. 118: 10101-10108. PMID 25290187 DOI: 10.1021/Jp507927C  0.661
Show low-probability matches.