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Alvaro Muñoz-Castro

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2020 – today

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2022
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Alvaro Muñoz-Castro, H. V. Rasika Dias:
Bonding and 13C-NMR properties of coinage metal tris(ethylene) and tris(norbornene) complexes: Evaluation of the role of relativistic effects from DFT calculations. J. Comput. Chem. 43(27): 1848-1855 (2022)

2010 – 2019

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2017
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Alvaro Muñoz-Castro, Robert Bruce King:
Evaluation of bonding, electron affinity, and optical properties of M@C₂₈ (M = Zr, Hf, Th, and U): Role of d- and f-orbitals in endohedral fullerenes from relativistic DFT calculations. J. Comput. Chem. 38(1): 44-50 (2017)
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Alvaro Muñoz-Castro, Robert Bruce King:
On the formation of smaller p-block endohedral fullerenes: Bonding analysis in the E@C₂₀ (E = Si, Ge, Sn, Pb) series from relativistic DFT calculations. J. Comput. Chem. 38(19): 1661-1667 (2017)
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Nickolas D. Charistos, Anastasios G. Papadopoulos, Thomas A. Nikopoulos, Alvaro Muñoz-Castro, Michael P. Sigalas:
Canonical orbital contributions to the magnetic fields induced by global and local diatropic and paratropic ring currents. J. Comput. Chem. 38(30): 2594-2604 (2017)

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