Chemical shifts in molecular solids by machine learning
Paruzzo, Federico M, Hofstetter, Albert, Musil, Félix, De, Sandip, Ceriotti, Michele, Emsley, Lyndon
Published in Nature communications (29.10.2018)
Published in Nature communications (29.10.2018)
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Structure determination of an amorphous drug through large-scale NMR predictions
Cordova, Manuel, Balodis, Martins, Hofstetter, Albert, Paruzzo, Federico, Nilsson Lill, Sten O, Eriksson, Emma S E, Berruyer, Pierrick, Simões de Almeida, Bruno, Quayle, Michael J, Norberg, Stefan T, Svensk Ankarberg, Anna, Schantz, Staffan, Emsley, Lyndon
Published in Nature communications (20.05.2021)
Published in Nature communications (20.05.2021)
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Rapid Structure Determination of Molecular Solids Using Chemical Shifts Directed by Unambiguous Prior Constraints
Hofstetter, Albert, Balodis, Martins, Paruzzo, Federico M, Widdifield, Cory M, Stevanato, Gabriele, Pinon, Arthur C, Bygrave, Peter J, Day, Graeme M, Emsley, Lyndon
Published in Journal of the American Chemical Society (23.10.2019)
Published in Journal of the American Chemical Society (23.10.2019)
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Atomic‐Scale Description of Interfaces between Antigen and Aluminum‐Based Adjuvants Used in Vaccines by Dynamic Nuclear Polarization (DNP) Enhanced NMR Spectroscopy
Viger‐Gravel, Jasmine, Paruzzo, Federico M., Cazaux, Corine, Jabbour, Ribal, Leleu, Amandine, Canini, Françoise, Florian, Pierre, Ronzon, Frédéric, Gajan, David, Lesage, Anne
Published in Chemistry : a European journal (22.07.2020)
Published in Chemistry : a European journal (22.07.2020)
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Structure elucidation of a complex CO2-based organic framework material by NMR crystallography
Leclaire, Julien, Poisson, Guillaume, Ziarelli, Fabio, Pepe, Gerard, Fotiadu, Frédéric, Paruzzo, Federico M, Rossini, Aaron J, Dumez, Jean-Nicolas, Elena-Herrmann, Bénédicte, Emsley, Lyndon
Published in Chemical science (Cambridge) (01.01.2016)
Published in Chemical science (Cambridge) (01.01.2016)
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Homonuclear Decoupling in 1H NMR of Solids by Remote Correlation
Moutzouri, Pinelopi, Paruzzo, Federico M., Simões de Almeida, Bruno, Stevanato, Gabriele, Emsley, Lyndon
Published in Angewandte Chemie (06.04.2020)
Published in Angewandte Chemie (06.04.2020)
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Journal Article
Structure elucidation of a complex CO 2 -based organic framework material by NMR crystallography
Leclaire, Julien, Poisson, Guillaume, Ziarelli, Fabio, Pepe, Gerard, Fotiadu, Frédéric, Paruzzo, Federico M, Rossini, Aaron J, Dumez, Jean-Nicolas, Elena-Herrmann, Bénédicte, Emsley, Lyndon
Published in Chemical science (Cambridge) (01.07.2016)
Published in Chemical science (Cambridge) (01.07.2016)
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A Machine Learning Model of Chemical Shifts for Chemically and Structurally Diverse Molecular Solids
Cordova, Manuel, Engel, Edgar A., Stefaniuk, Artur, Paruzzo, Federico, Hofstetter, Albert, Ceriotti, Michele, Emsley, Lyndon
Published in Journal of physical chemistry. C (06.10.2022)
Published in Journal of physical chemistry. C (06.10.2022)
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Atomic-level structure of the amorphous drug Atuliflapon by NMR crystallography
Holmes, Jacob, Torodii, Daria, Balodis, Martins, Cordova, Manuel, Hofstetter, Albert, Paruzzo, Federico, Nilsson Lill, Sten O., Eriksson, Emma, Berruyer, Pierrick, Simões de Almeida, Bruno, Quayle, Michael J., Norberg, Stefan Tommy, Svensk-Ankarberg, Anna, Schantz, Staffan, Emsley, Lyndon
Published in Faraday discussions (2024)
Published in Faraday discussions (2024)
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Refocused linewidths less than 10 Hz in 1 H solid-state NMR
Paruzzo, Federico M, Stevanato, Gabriele, Halse, Meghan E, Schlagnitweit, Judith, Mammoli, Daniele, Lesage, Anne, Emsley, Lyndon
Published in Journal of magnetic resonance (1997) (01.08.2018)
Published in Journal of magnetic resonance (1997) (01.08.2018)
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Journal Article
Homonuclear Decoupling in 1 H NMR of Solids by Remote Correlation
Moutzouri, Pinelopi, Paruzzo, Federico M., Simões de Almeida, Bruno, Stevanato, Gabriele, Emsley, Lyndon
Published in Angewandte Chemie (06.04.2020)
Published in Angewandte Chemie (06.04.2020)
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