Vibronic effects on the quantum tunnelling of magnetisation in Kramers single-molecule magnets von Mattioni, Andrea, Staab, Jakob K., Blackmore, William J. A., Reta, Daniel, Iles-Smith, Jake, Nazir, Ahsan, Chilton, Nicholas F.

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Structural Evolution of Paramagnetic Lanthanide Compounds in Solution Compared to Time- and Ensemble-Average Structures von Alnami, Barak, Kragskow, Jon G. C., Staab, Jakob K., Skelton, Jonathan M., Chilton, Nicholas F.

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Taming Super-Reduced Bi23- Radicals with Rare Earth Cations von Zhang, Peng, Nabi, Rizwan, Staab, Jakob K, Chilton, Nicholas F, Demir, Selvan

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Analytic Linear Vibronic Coupling Method for First-Principles Spin-Dynamics Calculations in Single-Molecule Magnets von Staab, Jakob K., Chilton, Nicholas F.

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Spin-phonon coupling and magnetic relaxation in single-molecule magnets von Kragskow, Jon G. C, Mattioni, Andrea, Staab, Jakob K, Reta, Daniel, Skelton, Jonathan M, Chilton, Nicholas F

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Intramolecular bridging strategies to suppress two-phonon Raman spin relaxation in dysprosocenium single-molecule magnets von Staab, Jakob K, Rahman, Md. Kholilur, Chilton, Nicholas F

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Taming Super-Reduced Bi 2 3- Radicals with Rare Earth Cations von Zhang, Peng, Nabi, Rizwan, Staab, Jakob K, Chilton, Nicholas F, Demir, Selvan

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The impact of low-energy phonon lifetimes on the magnetic relaxation in a dysprosocenium single-molecule magnet von Nabi, Rizwan, Atkinson, Benjamin E, Staab, Jakob K, Skelton, Jonathan M, Chilton, Nicholas F

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Ab Initio Design of Molecular Qubits with Electric Field Control von Morrillo, William T., Cumming, Herbert I. J., Mattioni, Andrea, Staab, Jakob K., Chilton, Nicholas F.

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Accurate and Efficient Spin–Phonon Coupling and Spin Dynamics Calculations for Molecular Solids von Nabi, Rizwan, Staab, Jakob K., Mattioni, Andrea, Kragskow, Jon G. C., Reta, Daniel, Skelton, Jonathan M., Chilton, Nicholas F.

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Coercive Fields Exceeding 30 T in the Mixed-Valence Single-Molecule Magnet (CpiPr5)2Ho2I3 von Kwon, Hyunchul, McClain, K. Randall, Kragskow, Jon G. C., Staab, Jakob K., Ozerov, Mykhaylo, Meihaus, Katie R., Harvey, Benjamin G., Choi, Eun Sang, Chilton, Nicholas F., Long, Jeffrey R.

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Coercive Fields Exceeding 30 T in the Mixed-Valence Single-Molecule Magnet (Cp iPr5 ) 2 Ho 2 I 3 von Kwon, Hyunchul, McClain, K Randall, Kragskow, Jon G C, Staab, Jakob K, Ozerov, Mykhaylo, Meihaus, Katie R, Harvey, Benjamin G, Choi, Eun Sang, Chilton, Nicholas F, Long, Jeffrey R

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Taming Super-Reduced Bi2 3– Radicals with Rare Earth Cations von Zhang, Peng, Nabi, Rizwan, Staab, Jakob K., Chilton, Nicholas F., Demir, Selvan

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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry von 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

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Vibronic effects on the quantum tunnelling of magnetisation in Kramers single-molecule magnets von Mattioni, Andrea, Staab, Jakob K, Blackmore, William J. A, Reta, Daniel, Iles-Smith, Jake, Nazir, Ahsan, Chilton, Nicholas F

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Research data for "Ab Initio Design of Molecular Qubits with Electric Field Control" von Chilton, Nicholas, Morrillo, William, Cumming, Herbert, Mattioni, Andrea, Staab, Jakob K.

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Research Data for "An ab initio study of magnetic relaxation in a dysprosocenium single-molecule magnet" von Chilton, Nicholas, Staab, Jakob K., Atkinson, Benjamin, Nabi, Rizwan, Skelton, Jonathan M.

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Paramagnetic_lanthanide_compounds von Alnami, Barak, Kragskow, Jon G. C., Staab, Jakob K., Skelton, Jonathan M., Chilton, Nicholas F.

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Vibronic Effects on the Quantum Tunnelling of Magnetisation in Single-Molecule Magnets von Mattioni, Andrea, Staab, Jakob K, Blackmore, William J A, Reta, Daniel, Iles-Smith, Jake, Ahsan Nazir, Chilton, Nicholas F

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The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry von Manni, Giovanni Li, Fernández Galván, Ignacio, Alavi, Ali, Aleotti, Flavia, Aquilante, Francesco, Autschbach, Jochen, Avagliano, Davide, Baiardi, Alberto, Bao, Jie J, Battaglia, Stefano, Birnoschi, Letitia, Blanco-Gonzalez, Alejandro, Bokarev, Sergey I, Broer, Ria, Cacciari, Roberto, Calio, Paul B, Carlson, Rebecca K, Couto, Rafael Carvalho, Cerdan, Luis, Chilton, Nicholas F, Church, Jonathan Richard, Conti, Irene, Coriani, Sonia, Cuellar-Zuquin, Juliana, Daoud, Razan E, Dattani, Nike, de Graaf, Coen, Delcey, Mickael G, De Vico, Luca, Dobrautz, Werner, Dong, Sijia S, Feng, Rulin, Ferre, Nicolas, Filatov (Gulak), Michael, Gagliardi, Laura, Gonzalez, 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, Krosnicki, Marek, Kumaar, Arpit Arun, Lehtola, Susi, Lepetit, Marie-Bernadette, Lischka, Hans, Lundberg, Marcus, Ma, Dongxia, Mai, Sebastian, Marquetand, Philipp, Merritt, Isabella C. D, Montorsi, Francesco, Morchen, Maximilian, Nenov, Artur, Nguyen, Vu Ha Anh, Nishimoto, Yoshio, Oakley, Meagan S, Olivucci, Massimo, Oppel, Markus, Padula, Daniele, Pandharkar, Riddhish, Phung, Quan Manh, Plasser, Felix, Raggi, Gerardo, Rebolini, Elisa, Reiher, Markus, Rivalta, Ivan, Roca-Sanjuan, Daniel, Romig, Thies, Safari, Arta Anushirwan, Sanchez-Mansilla, Aitor, Sand, Andrew M, Schapiro, Igor, Scott, Thais R, Segarra-Marti, Javier, Segatta, Francesco, Sergentu, Dumitru-Claudiu, Sharma, Prachi, Shepard, Ron, Shu, Yinan, Staab, Jakob K, Straatsma, Tjerk P, Sorensen, Lasse Kragh, Tenorio, Bruno Nunes Cabral, Truhlar, Donald G, Ungur, Liviu, Vacher, Morgane, Veryazov, Valera, Voss, Torben Arne, Yarkony, David, Zhou, Chen, Zobel, J. Patrick, Lindh, Roland

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