A general method to obtain well localized Wannier functions for composite energy bands in linear combination of atomic orbital periodic calculations von Zicovich-Wilson, Claudio M., Dovesi, Roberto, Saunders, Victor R.

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Structural, electronic and magnetic properties of KMF3(M=Mn, Fe, Co, Ni) von Dovesi, Roberto, Freyria Fava, Federica, Roetti, Carla, Saunders, Victor R.

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Ab initio study of MF2 (M=Mn, Fe, Co, Ni) rutile-type compounds using the periodic unrestricted Hartree-Fock approach von Moreira, Ibério de Pinho Ribeiro, Dovesi, R, Roetti, C, Saunders, Víctor R, Orlando, Roberto

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Periodic ab initio Hartree-Fock calculations of the low-symmetry mineral kaolinite von Hess, Anthony C, Saunders, Victor R

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Characterization of the electronic structure of crystalline compounds through their localized Wannier functions von Zicovich-Wilson, Claudio M., Bert, Alberto, Roetti, Carla, Dovesi, Roberto, Saunders, Victor R.

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Calculated enthalpies of mixing of MnO/MgO and NiO/MgO von HEATH, K. D, MACKRODT, W. C, SAUNDERS, V. R, CAUSA, M

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Comment on “Accurate Hartree-Fock energy of extended systems using large Gaussian basis sets” von Civalleri, Bartolomeo, Orlando, Roberto, Zicovich-Wilson, Claudio M., Roetti, Carla, Saunders, Victor R., Pisani, Cesare, Dovesi, Roberto

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Ab initio Hartree-Fock investigation of the structural, electronic, and magnetic properties of Mn 3 O 4 von Chartier, Alain, D’Arco, Philippe, Dovesi, Roberto, Saunders, Victor R.

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The importance of correlation effects in the calculation of the valence ionization energies of bis(π-allyl)nickel von MONCRIEFF, D, HILLIER, I. H, SAUNDERS, V. R, VON NIESSEN, W

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A quantum mechanical periodic ab initio approach to materials science: the CRYSTAL program von Orlando, Roberto, Dovesi, Roberto, Ugliengo, Piero, Roetti, Carla, Saunders, Victor R.

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Correlation effects and the bonding and Cr-C bond strength in Cr(CO)6 von MONCRIEFF, D, FORD, P. C, HILLIER, I. H, SAUNDERS, V. R

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Calculations of the orbital diamagnetic contribution to nuclear spin-spin coupling constants for molecules with multiple bonds von Overill, Richard E., Saunders, Victor R.

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Finite perturbation MCSCF and CI calculations of nuclear spin-spin coupling constants for some molecules with multiple bonds von Laaksonen, Aatto, Kowalewski, Jozef, Saunders, Victor R.

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Coupled Hartree–Fock and finite perturbation–configuration interaction calculations of nuclear spin–spin coupling constants in the second-row hydrides von Kowalewski, Jozef, Laaksonen, Aatto, Saunders, Victor R.

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A spin-unrestricted MC SCF calculation of nuclear spin-spin coupling constants in the HCN molecule von Laaksonen, Aatto I., Saunders, Victor R.

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Ab Initio Quantum Simulation in Solid State Chemistry von Dovesi, Roberto, Civalleri, Bartolomeo, Orlando, Roberto, Roetti, Carla, Saunders, Victor R.

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Ab initio study of M F 2 ( M = M n , F e , C o , Ni ) rutile-type compounds using the periodic unrestricted Hartree-Fock approach von de P. R. Moreira, Ibério, Dovesi, Roberto, Roetti, Carla, Saunders, Victor R., Orlando, Roberto

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Ab initio study of MF2 (M=Mn, Fe, Co, Ni) rutile-type compounds using the periodic unrestricted Hartree-Fock approach von Moreira, Ibério de Pinho Ribeiro, Dovesi, R, Roetti, C, Saunders, Víctor R, Orlando, Roberto

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An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike von Schoof, Michael, Faust, Bryan, Saunders, Reuben A, Sangwan, Smriti, Rezelj, Veronica, Hoppe, Nick, Boone, Morgane, Billesbølle, Christian B, Puchades, Cristina, Azumaya, Caleigh M, Kratochvil, Huong T, Zimanyi, Marcell, Deshpande, Ishan, Liang, Jiahao, Dickinson, Sasha, Nguyen, Henry C, Chio, Cynthia M, Merz, Gregory E, Thompson, Michael C, Diwanji, Devan, Schaefer, Kaitlin, Anand, Aditya A, Dobzinski, Niv, Zha, Beth Shoshana, Simoneau, Camille R, Leon, Kristoffer, White, Kris M, Chio, Un Seng, Gupta, Meghna, Jin, Mingliang, Li, Fei, Liu, Yanxin, Zhang, Kaihua, Bulkley, David, Sun, Ming, Smith, Amber M, Rizo, Alexandrea N, Moss, Frank, Brilot, Axel F, Pourmal, Sergei, Trenker, Raphael, Pospiech, Thomas, Gupta, Sayan, Barsi-Rhyne, Benjamin, Belyy, Vladislav, Barile-Hill, Andrew W, Nock, Silke, Liu, Yuwei, Krogan, Nevan J, Ralston, Corie Y, Swaney, Danielle L, García-Sastre, Adolfo, Ott, Melanie, Vignuzzi, Marco, Walter, Peter, Manglik, Aashish

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Is habitat fragmentation bad for biodiversity? von Fahrig, Lenore, Arroyo-Rodríguez, Víctor, Bennett, Joseph R., Boucher-Lalonde, Véronique, Cazetta, Eliana, Currie, David J., Eigenbrod, Felix, Ford, Adam T., Harrison, Susan P., Jaeger, Jochen A.G., Koper, Nicola, Martin, Amanda E., Martin, Jean-Louis, Metzger, Jean Paul, Morrison, Peter, Rhodes, Jonathan R., Saunders, Denis A., Simberloff, Daniel, Smith, Adam C., Tischendorf, Lutz, Vellend, Mark, Watling, James I.

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