Sfoglia per SSD Settore CHIM/02 - Chimica Fisica
1,1,1,2-Tetrafluoroethane (HFC-134a): results from a coupled quantum-chemical investigation and high-resolution FAR IR rovibrational analysis
2017-01-01 PIETROPOLLI CHARMET, Andrea; Luca, Bizzocchi; Laurent, Manceron
1,1,2-Trichlorotrifluoroethane (CFC-113): results from a coupled quantum-chemical and experimental investigation
2017-01-01 PIETROPOLLI CHARMET, Andrea; Karin Le, Bris; Paul, Godin; Kimberly, Strong
A Bit of Sugar on TiO2: Quantum Chemical Insights on the Interfacial Interaction of Glycolaldehyde over Titanium Dioxide
2018-01-01 Tasinato, Nicola; Ceselin, Giorgia; Stoppa, Paolo; Pietropolli Charmet, Andrea; Giorgianni, Santi
Accurate Estimation of the Entropy of Rotation-Translation Probability Distributions
2016-01-01 Fogolari, F.; Dongmo Foumthuim, C. J.; Fortuna, S.; Soler, M. A.; Corazza, A.; Esposito, G.
Accurate Vibrational-Rotational Parameters and Infrared Intensities of 1-Bromo-1-fluoroethene: A Joint Experimental Analysis and Ab Initio Study
2017-01-01 PIETROPOLLI CHARMET, Andrea; Stoppa, Paolo; Giorgianni, Santi; Bloino, Julien; Tasinato, Nicola; Carnimeo, Ivan; Biczysko, Malgorzata; Puzzarini, Cristina
Adsorption of F2C=CFCl on TiO2 nano-powder: Structures, energetics and vibrational properties from DRIFT spectroscopy and periodic quantum chemical calculations
2015-01-01 Tasinato, Nicola; Moro, Daniele; Stoppa, Paolo; PIETROPOLLI CHARMET, Andrea; Toninello, Piero; Giorgianni, Santi
Analytic solution of two-density integral equations for sticky Janus dumbbells with arbitrary monomer diameters
2016-01-01 Gazzillo, Domenico; Munaò, Gianmarco; Prestipino, Santi
Anomalous gas sensing behaviors to reducing agents of hydrothermally grown Α-Fe2O3 nanorods
2018-01-01 Donarelli, M.; Milan, R.; Rigoni, F.; Drera, G.; Sangaletti, L.; Ponzoni, A.; Baratto, C.; Sberveglieri, G.; Comini, E.
Antithetic effects of agonists and antagonists on the structural fluctuations of TRPV1 channel
2023-01-01 Sumino, Ayumi; Zhao, Yimeng; Mukai, Daichi; Sumikama, Takashi; Puppulin, Leonardo; Hattori, Motoyuki; Shibata, Mikihiro
The beauty of being complex: Prussian blue analogues as selective catalysts and photocatalysts in the degradation of ciprofloxacin
2022-01-01 Khasevani, Sepideh G.; Nikjoo, Dariush; Ojwang, Dickson O.; Nodari, Luca; Sarmad, Shokat; Mikkola, Jyri-Pekka; Rigoni, Federica; Concina, Isabella
Benchmarking DFT Analytic Force Fields for Anharmonic Infrared Spectra
2016-01-01 PIETROPOLLI CHARMET, Andrea; Cornaton, Yann
Benchmarking fully analytic DFT force fields for vibrational spectroscopy: A study on halogenated compounds
2018-01-01 Pietropolli Charmet, Andrea; Cornaton, Yann
Bi2SiO5@g-SiO2 upconverting nanoparticles: a bismuth-driven core-shell self-assembly mechanism
2019-01-01 Back, Michele; Trave, Enrico; Zaccariello, Gloria; Cristofori, Davide; Canton, Patrizia; Benedetti, Alvise; Riello, Pietro
Biocompatible tailored zirconia mesoporous nanoparticles with high surface area for theranostic applications
2015-01-01 Sponchia, Gabriele; Ambrosi, EMMANUELE KIZITO; Rizzolio, Flavio; Hadla, Mohamad; Del Tedesco, Anna; Spena, Concetta Russo; Toffoli, Giuseppe; Riello, Pietro; Benedetti, Alvise
Bioconjugation strategy for cell surface labelling with gold nanostructures designed for highly localized pH measurement
2018-01-01 Puppulin, Leonardo; Hosogi, Shigekuni; Sun, Hongxin; Matsuo, Kazuhiko; Inui, Toshio; Kumamoto, Yasuaki; Suzaki, Toshinobu; Tanaka, Hideo; Marunaka, Yoshinori
Biphase hydroformylation catalyzed by rhodium in combination with a water-soluble pyridyl-triazole ligand
2017-01-01 Scrivanti, Alberto; Beghetto, Valentina; Alam, MD MAHBUBUL; Paganelli, Stefano; Canton, Patrizia; Bertoldini, Matteo; Amadio, Emanuele
Bismuth titanate-based UV filters embedded mesoporous silica nanoparticles: Role of bismuth concentration in the self-sealing process
2019-01-01 Zaccariello, G.; Back, M.; Benedetti, A.; Canton, P.; Cattaruzza, E.; Onoda, H.; Glisenti, A.; Alimonti, A.; Bocca, B.; Riello, P.
Boltzmann Thermometry in Cr3+-Doped Ga2O3 Polymorphs: The Structure Matters!
2021-01-01 Back, M.; Ueda, J.; Nambu, H.; Fujita, M.; Yamamoto, A.; Yoshida, H.; Tanaka, H.; Brik, M. G.; Tanabe, S.
Bridging and depletion mechanisms in colloid-colloid effective interactions: A reentrant phase diagram
2015-01-01 Fantoni, Riccardo; Giacometti, Achille; Santos, Andrés
Brown seaweed pigment as a dye source for photoelectrochemical solar cells
2014-01-01 Calogero, Giuseppe; Citro, Ilaria; Di Marco, Gaetano; ARMELI MINICANTE, Simona; Morabito, Marina; Genovese, Giuseppa
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