Multireference Approaches for Excited States of Molecules von Lischka, Hans, Nachtigallová, Dana, Aquino, Adélia J. A, Szalay, Péter G, Plasser, Felix, Machado, Francisco B. C, Barbatti, Mario

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Sub-diffractional cavity modes of terahertz hyperbolic phonon polaritons in tin oxide von Feres, Flávio H., Mayer, Rafael A., Wehmeier, Lukas, Maia, Francisco C. B., Viana, E. R., Malachias, Angelo, Bechtel, Hans A., Klopf, J. Michael, Eng, Lukas M., Kehr, Susanne C., González, J. C., Freitas, Raul O., Barcelos, Ingrid D.

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Infrared Vibrational Nanospectroscopy by Self-Referenced Interferometry von Pollard, Benjamin, Maia, Francisco C. B, Raschke, Markus B, Freitas, Raul O

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Excited states and excitonic interactions in prototypic polycyclic aromatic hydrocarbon dimers as models for graphitic interactions in carbon dots von Shi, Baimei, Nachtigallová, Dana, Aquino, Adélia J. A, Machado, Francisco B. C, Lischka, Hans

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Graphene/h-BN plasmon-phonon coupling and plasmon delocalization observed by infrared nano-spectroscopy von Barcelos, Ingrid D, Cadore, Alisson R, Campos, Leonardo C, Malachias, Angelo, Watanabe, K, Taniguchi, T, Maia, Francisco C. B, Freitas, Raul, Deneke, Christoph

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π-π stacking between polyaromatic hydrocarbon sheets beyond dispersion interactions von Silva, Nadeesha J, Machado, Francisco B. C, Lischka, Hans, Aquino, Adelia J. A

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Pushing 3c–4e Bonds to the Limit: A Coupled Cluster Study of Stepwise Fluorination of First-Row Atoms von Oliveira, Vytor P, Kraka, Elfi, Machado, Francisco B. C

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Anisotropic Flow Control and Gate Modulation of Hybrid Phonon-Polaritons von Maia, Francisco C. B, O’Callahan, Brian T, Cadore, Alisson R, Barcelos, Ingrid D, Campos, Leonardo C, Watanabe, Kenji, Taniguchi, Takashi, Deneke, Christoph, Belyanin, Alexey, Raschke, Markus B, Freitas, Raul O

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High-level theoretical benchmark investigations of the UV-vis absorption spectra of paradigmatic polycyclic aromatic hydrocarbons as models for graphene quantum dots von Shi, Baimei, Nachtigallová, Dana, Aquino, Adélia J. A., Machado, Francisco B. C., Lischka, Hans

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Optical Distribution Network Design using PSO von Aguiar, Antonio L. S., Sousa, Francisco B. C., De Melo, Yuri V. L.

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Direct Dynamics Simulation of the Thermal 3CH2 + 3O2 Reaction. Rate Constant and Product Branching Ratios von Lakshmanan, Sandhiya, Pratihar, Subha, Machado, Francisco B. C, Hase, William L

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A systematic analysis of excitonic properties to seek optimal singlet fission: the BN-substitution patterns in tetracene von Pinheiro, Max, Machado, Francisco B. C, Plasser, Felix, Aquino, Adélia J. A, Lischka, Hans

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Dipole modelling for a robust description of subdiffractional polariton waves von Feres, Flávio H, Barcelos, Ingrid D, Mayer, Rafael A, dos Santos, Thiago M, Freitas, Raul O, Raschke, Markus B, Bahamon, Dario A, Maia, Francisco C. B

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Emission Energies and Stokes Shifts for Single Polycyclic Aromatic Hydrocarbon Sheets in Comparison to the Effect of Excimer Formation von Shi, Baimei, Nachtigallová, Dana, Aquino, Adélia J. A, Machado, Francisco B. C, Lischka, Hans

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Molecular Ordering of Conjugated Polymers at Metallic Interfaces Probed by SFG Vibrational Spectroscopy von Maia, Francisco C. B, Miranda, Paulo B

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Singlet La and Lb Bands for N‑Acenes (N = 2–7): A CASSCF/CASPT2 Study von Bettanin, Fernanda, Ferrão, Luiz F. A, Pinheiro, Max, Aquino, Adélia J. A, Lischka, Hans, Machado, Francisco B. C, Nachtigallova, Dana

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Interplay between Aromaticity and Radicaloid Character in Nitrogen-Doped Oligoacenes Revealed by High-Level Multireference Methods von Pinheiro, Max, Das, Anita, Aquino, Adelia J. A, Lischka, Hans, Machado, Francisco B. C

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Potential Energy Curves for Formation of the CH2O2 Criegee Intermediate on the 3CH2 + 3O2 Singlet and Triplet Potential Energy Surfaces von Lakshmanan, Sandhiya, Spada, Rene F. K, Machado, Francisco B. C, Hase, William L

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Identification of Magic Numbers in Homonuclear Clusters: The ε3 Stability Ranking Function von Fernandes, Gabriel F. S, Machado, Francisco B. C, Ferrão, Luiz F. A

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Tunneling Enhancement of the Gas-Phase CH + CO2 Reaction at Low Temperature von Nuñez-Reyes, Dianailys, Hickson, Kevin M, Loison, Jean-Christophe, Spada, Rene F. K, Vichietti, Rafael M, Machado, Francisco B. C, Haiduke, Roberto L. A

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