Desmond MacLeod-Carey Castro
Desmond MacLeod-Carey Castro
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A TD‐DFT basis set and density functional assessment for the calculation of electronic excitation energies of fluorene
CA Barboza, PAM Vazquez, D Mac‐Leod Carey, R Arratia‐Perez
International Journal of Quantum Chemistry 112 (20), 3434-3438, 2012
Spin-orbit effects on electronic delocalization. Aromaticity in a discrete square tetrapalladium sandwich complex
A Muñoz-Castro, D Mac-Leod Carey, R Arratia-Pérez
The Journal of chemical physics 132 (16), 2010
Calculated molecular properties of triangular tribenzo and perfluoro-tribenzo trimercuronin macrocycles
A Muñoz-Castro, D MacLeod Carey, R Arratia-Pérez
The Journal of Physical Chemistry A 114 (1), 666-672, 2010
Heterobinuclear s‐Indacene Rhodium Complexes: Synthesis and Characterization
C Adams, C Morales‐Verdejo, V Morales, D MacLeod‐Carey, ...
European journal of inorganic chemistry 2009 (6), 784-791, 2009
Heterobimetallic catalysts for the thermal decomposition of ammonium perchlorate: efficient burning rate catalysts for solid rocket motors and missiles
JL Arroyo, A Norambuena, H Reyes, C Valdebenito, G Abarca, ...
Inorganic chemistry 60 (3), 1436-1448, 2021
[Cp* Ru (s-indacene) RuCp*] and [Cp* Ru (s-indacene) RuCp*]+: Experimental and theoretical findings concerning the electronic structure of neutral and mixed valence …
DML Carey, C Morales-Verdejo, A Muñoz-Castro, F Burgos, D Abril, ...
Polyhedron 29 (3), 1137-1143, 2010
Chromium (III) complexes with terdentate 2, 6-bis (azolylmethyl) pyridine ligands: Synthesis, structures and ethylene polymerization behavior
J Hurtado, DML Carey, A Muñoz-Castro, R Arratia-Pérez, R Quijada, ...
Journal of Organometallic Chemistry 694 (16), 2636-2641, 2009
Inside a Superatom: The M7q (M=Cu, Ag, q=1+, 0, 1−) Case
A Muñoz‐Castro, D Mac‐Leod Carey, R Arratia‐Pérez
ChemPhysChem 11 (3), 646-650, 2010
Electronic structure, molecular properties and electronic currents of the luminescent [Au3 (CH3NCOCH3) 3] cluster
A Muñoz-Castro, DML Carey, R Arratia-Pérez
Chemical Physics Letters 474 (4-6), 290-293, 2009
Tautomeric, spectroscopic, DFT calculations and X-ray studies on O2N-4-C6H4–NHNC (COCH3) 2
C Bustos, C Sánchez, R Martínez, R Ugarte, E Schott, DML Carey, ...
Dyes and pigments 74 (3), 615-621, 2007
Synthesis and structure of some heterobimetallic complexes having a polyalkyl-s-indacenyl spacer
C Morales-Verdejo, I Martinez, DML Carey, I Chavez, JM Manríquez, ...
Inorganica Chimica Acta 394, 752-756, 2013
Synthesis, characterization and DFT study of a new family of pyrazole derivatives
R Faundez-Gutierrez, D Macleod-Carey, X Zarate, C Bustos, E Molins, ...
Polyhedron 81, 414-420, 2014
Aryldiazenido derivatives: A new entry to the functionalization of Keggin polyoxometalates
C Bustos, DML Carey, K Boubekeur, R Thouvenot, A Proust, P Gouzerh
Inorganica Chimica Acta 363 (15), 4262-4268, 2010
A new heterobimetallic manganese–rhodium carbonyl complex derived from partially alkylated s-indacene
C Morales-Verdejo, L Oehninger, I Martínez-Díaz, DML Carey, ...
Inorganica Chimica Acta 394, 132-139, 2013
π-donor/acceptor effect on lindqvist type polyoxomolibdates because of various multiple-bonded nitrogenous ligands
DML Carey, A Muñoz-Castro, CJ Bustos, JM Manríquez, R Arratia-Pérez
The Journal of Physical Chemistry A 111 (28), 6563-6567, 2007
New mono and bimetallic iron complexes derived from partially methylated s-indacene. Evidence of a trinuclear iron s-indacene complex
C Morales-Verdejo, I Martínez-Díaz, C Adams, JF Araneda, L Oehninger, ...
Polyhedron 69, 15-24, 2014
DFT study on the electronic structure, energetics and spectral properties of several bis (organohydrazido (2-)) molybdenum complexes containing substituted phosphines and …
X Zárate, E Schott, DML Carey, C Bustos, R Arratia-Pérez
Journal of Molecular Structure: THEOCHEM 957 (1-3), 126-132, 2010
Reinterpreting the role of the catalyst formal potential. The case of thiocyanate electrooxidation catalyzed by CoN4-macrocyclic complexes
C Linares-Flores, D Mac-Leod Carey, A Muñoz-Castro, JH Zagal, J Pavez, ...
The Journal of Physical Chemistry C 116 (12), 7091-7098, 2012
Evaluation of new antihypertensive drugs designed in silico using Thermolysin as a target
D MacLeod-Carey, E Solis-Céspedes, E Lamazares, K Mena-Ulecia
Saudi Pharmaceutical Journal 28 (5), 582-592, 2020
Structural characterization, reactivity, and vibrational properties of silver clusters: a new global minimum for Ag 16
PL Rodríguez-Kessler, AR Rodríguez-Domínguez, DML Carey, ...
Physical Chemistry Chemical Physics 22 (46), 27255-27262, 2020
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