Hyperion: A New Computational Tool for Relativistic Ab Initio Hyperfine Coupling
Birnoschi, Letitia, Chilton, Nicholas F.
Published in Journal of chemical theory and computation (09.08.2022)
Published in Journal of chemical theory and computation (09.08.2022)
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Journal Article
Relativistic Quantum Chemical Investigation of Actinide Covalency Measured by Electron Paramagnetic Resonance Spectroscopy
Birnoschi, Letitia, Oakley, Meagan S., McInnes, Eric J. L., Chilton, Nicholas F.
Published in Journal of the American Chemical Society (29.05.2024)
Published in Journal of the American Chemical Society (29.05.2024)
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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Li Manni, Giovanni, Fdez. Galván, Ignacio, Alavi, Ali, Aleotti, Flavia, Aquilante, Francesco, Autschbach, Jochen, Avagliano, Davide, Baiardi, Alberto, Bao, Jie J., Battaglia, Stefano, Birnoschi, Letitia, Blanco-González, Alejandro, Broer, Ria, Cacciari, Roberto, Calio, Paul B., Carlson, Rebecca K., Carvalho Couto, Rafael, Cerdán, Luis, Chibotaru, Liviu F., Chilton, Nicholas F., Church, Jonathan Richard, Conti, Irene, Coriani, Sonia, Cuéllar-Zuquin, Juliana, Daoud, Razan E., Dattani, Nike, Decleva, Piero, de Graaf, Coen, De Vico, Luca, Dobrautz, Werner, Dong, Sijia S., Feng, Rulin, Ferré, Nicolas, Filatov(Gulak), Michael, Gagliardi, Laura, Garavelli, Marco, González, Leticia, Guan, Yafu, Guo, Meiyuan, Hennefarth, Matthew R., Hermes, Matthew R., Hoyer, Chad E., Huix-Rotllant, Miquel, Jaiswal, Vishal Kumar, Kaiser, Andy, Kaliakin, Danil S., Khamesian, Marjan, King, Daniel S., Kochetov, Vladislav, Krośnicki, Marek, Kumaar, Arpit Arun, Larsson, Ernst D., Lehtola, Susi, Lepetit, Marie-Bernadette, Lischka, Hans, Lundberg, Marcus, Ma, Dongxia, Mai, Sebastian, Marquetand, Philipp, Merritt, Isabella C. D., Montorsi, Francesco, Mörchen, Maximilian, Nenov, Artur, Nguyen, Vu Ha Anh, Nishimoto, Yoshio, Olivucci, Massimo, Padula, Daniele, Pandharkar, Riddhish, Phung, Quan Manh, Plasser, Felix, Raggi, Gerardo, Rebolini, Elisa, Reiher, Markus, Roca-Sanjuán, Daniel, Romig, Thies, Safari, Arta Anushirwan, Sánchez-Mansilla, Aitor, Sand, Andrew M., Schapiro, Igor, Segarra-Martí, Javier, Segatta, Francesco, Sergentu, Dumitru-Claudiu, Sharma, Prachi, Shepard, Ron, Staab, Jakob K., Straatsma, Tjerk P., Sørensen, Lasse Kragh, Tenorio, Bruno Nunes Cabral, Truhlar, Donald G., Ungur, Liviu, Vacher, Morgane, Veryazov, Valera, Voß, Torben Arne, Weser, Oskar, Wu, Dihua, Yang, Xuchun, Yarkony, David, Zhou, Chen, Zobel, J. Patrick, Lindh, Roland
Published in Journal of chemical theory and computation (24.10.2023)
Published in Journal of chemical theory and computation (24.10.2023)
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Journal Article
Anomalous magnetism of uranium(IV)-oxo and -imido complexes reveals unusual doubly degenerate electronic ground states
Seed, John A., Birnoschi, Letitia, Lu, Erli, Tuna, Floriana, Wooles, Ashley J., Chilton, Nicholas F., Liddle, Stephen T.
Published in Chem (10.06.2021)
Published in Chem (10.06.2021)
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Metal-carbon bonding in early lanthanide substituted cyclopentadienyl complexes probed by pulsed EPR spectroscopy
Nodaraki, Lydia E, Liu, Jingjing, Ariciu, Ana-Maria, Ortu, Fabrizio, Oakley, Meagan S, Birnoschi, Letitia, Gransbury, Gemma K, Cobb, Philip J, Emerson-King, Jack, Chilton, Nicholas F, Mills, David P, McInnes, Eric J. L, Tuna, Floriana
Published in Chemical science (Cambridge) (22.02.2024)
Published in Chemical science (Cambridge) (22.02.2024)
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A Convergent Continuous Multistep Process for the Preparation of C4‑Oxime-Substituted Thiazoles
Godineau, Edouard, Battilocchio, Claudio, Lehmann, Matthias, Ley, Steven V, Labes, Ricardo, Birnoschi, Letitia, Subramanian, Srinivas, Prasanna, C. S, Gorde, Amol, Kalbagh, Mahesh, Khade, Vivek, Scherrer, Anton, O’Sullivan, Anthony C
Published in Organic process research & development (17.08.2018)
Published in Organic process research & development (17.08.2018)
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Journal Article
A Convergent Continuous Multistep Process for the Preparation of C-4-Oxime-Substituted Thiazoles
Godineau, Edouard, Battilocchio, Claudio, Lehmann, Matthias, Ley, Steven V., Labes, Ricardo, Birnoschi, Letitia, Subramanian, Srinivas, Prasanna, C. S., Gorde, Amol, Kalbagh, Mahesh, Khade, Vivek, Scherrer, Anton, O'Sullivan, Anthony C.
Published in Organic process research & development (17.08.2018)
Published in Organic process research & development (17.08.2018)
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