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\n\n \n \n \n \n \n Anharmonic vibrational states of double-well potentials in the solid state from DFT calculations.\n \n \n \n\n\n \n Mitoli, D.; Petrov, M.; Maul, J.; Stoll, W. B; Ruggiero, M. T; and Erba, A.\n\n\n \n\n\n\n
Journal of Chemical Theory and Computation, 21(11): 5365–5371. 2025.\n
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@article{mitoli2025anharmonic,\n title={Anharmonic vibrational states of double-well potentials in the solid state from DFT calculations},\n author={Mitoli, Davide and Petrov, Maria and Maul, Jefferson and Stoll, William B and Ruggiero, Michael T and Erba, Alessandro},\n journal={Journal of Chemical Theory and Computation},\n volume={21},\n number={11},\n pages={5365--5371},\n year={2025},\n publisher={American Chemical Society}\n}\n\n\n
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\n\n \n \n \n \n \n Interrogation of the Intermolecular Forces That Drive Bulk Properties of Molecular Crystals with Terahertz Spectroscopy and Density Functional Theory.\n \n \n \n\n\n \n Stoll, W. B; Banks, P. A; Dannenberg, S. G; Waterman, R.; Catalano, L.; and Ruggiero, M. T\n\n\n \n\n\n\n
Crystal Growth & Design, 25(11): 3697–3706. 2025.\n
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@article{stoll2025interrogation,\n title={Interrogation of the Intermolecular Forces That Drive Bulk Properties of Molecular Crystals with Terahertz Spectroscopy and Density Functional Theory},\n author={Stoll, William B and Banks, Peter A and Dannenberg, Steven G and Waterman, Rory and Catalano, Luca and Ruggiero, Michael T},\n journal={Crystal Growth \\& Design},\n volume={25},\n number={11},\n pages={3697--3706},\n year={2025},\n publisher={American Chemical Society}\n}\n\n\n
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\n\n \n \n \n \n \n Experimentally Mapping the Molecular Pathways and Intermolecular Forces that Drive Elasticity in Flexible Crystals.\n \n \n \n\n\n \n Stoll, W.; Koelbel, J.; Petrov, M.; Katleski, L.; Najmaei, S.; Salzillo, T.; Catalano, L.; and Ruggiero, M.\n\n\n \n\n\n\n . 2025.\n
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@article{stoll2025experimentally,\n title={Experimentally Mapping the Molecular Pathways and Intermolecular Forces that Drive Elasticity in Flexible Crystals},\n author={Stoll, William and Koelbel, Johanna and Petrov, Maria and Katleski, Lincoln and Najmaei, Sina and Salzillo, Tommaso and Catalano, Luca and Ruggiero, Michael},\n year={2025},\n publisher={ChemRxiv}\n}\n\n\n
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\n\n \n \n \n \n \n Encoding Polymorphism by Incorporating Lattice Dynamics to Design Molecular Materials.\n \n \n \n\n\n \n Alvarez, A.; Koelbel, J.; Stoll, W.; Juneja, N.; Sithari, H.; Crompton, L.; Zhang, J.; Holt, J.; Brennessel, W.; Pejov, L.; and others\n\n\n \n\n\n\n . 2025.\n
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@article{alvarez2025encoding,\n title={Encoding Polymorphism by Incorporating Lattice Dynamics to Design Molecular Materials},\n author={Alvarez, Alejandro and Koelbel, Johanna and Stoll, William and Juneja, Navkiran and Sithari, Hashini and Crompton, Lisbeth and Zhang, Jian and Holt, Jason and Brennessel, William and Pejov, Ljupcho and others},\n year={2025},\n publisher={ChemRxiv}\n}\n\n\n
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\n\n \n \n \n \n \n Structure–Dynamics–Property Relationship Reveals the Origin of Porous Integrity in Covalent Organic Frameworks.\n \n \n \n\n\n \n Stoll, W.; Koelbel, J.; Sultana, S.; Archacki, W.; Truong, K.; Aby, I.; Barnett, B.; Catalano, L.; Thorarinsdottir, A.; and Ruggiero, M.\n\n\n \n\n\n\n . 2025.\n
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@article{stoll2025structure,\n title={Structure--Dynamics--Property Relationship Reveals the Origin of Porous Integrity in Covalent Organic Frameworks},\n author={Stoll, William and Koelbel, Johanna and Sultana, Sameeha and Archacki, William and Truong, Khai-Nghi and Aby, Irin and Barnett, Brandon and Catalano, Luca and Thorarinsdottir, Agnes and Ruggiero, Michael},\n year={2025}\n}\n\n\n
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\n\n \n \n \n \n \n Revealing the Dynamics Underpinning Order-Disorder Phase Transitions in Molecular Crystals Using Terahertz Vibrational Spectroscopy.\n \n \n \n\n\n \n Stoll, W. B; Catalano, L.; and Ruggiero, M. T\n\n\n \n\n\n\n In
2025 50th International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz), pages 1–2, 2025. IEEE\n
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@inproceedings{stoll2025revealing,\n title={Revealing the Dynamics Underpinning Order-Disorder Phase Transitions in Molecular Crystals Using Terahertz Vibrational Spectroscopy},\n author={Stoll, William B and Catalano, Luca and Ruggiero, Michael T},\n booktitle={2025 50th International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz)},\n pages={1--2},\n year={2025},\n organization={IEEE}\n}\n\n\n
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