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MacLeod Carey, Desmond
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1

From 8- to 18-Cluster Electrons Superatoms: Evaluation via ..:

Wei, Jianyu ; MacLeod Carey, Desmond ; Halet, Jean-François...
Inorganic Chemistry.  62 (2023)  7 - p. 3047-3055 , 2023
Link: https://doi.org/10.1021/..
 
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2

Relativistic effects on dative carbon-coinage metal bond. E..:

Muñoz-Castro, Alvaro ; MacLeod Carey, Desmond ; Arratia-Perez, Ramiro
Polyhedron.  197 (2021)  - p. 115020 , 2021
Link: https://doi.org/10.1016/..
 
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3

Evaluation of C60 and C70 analogs bearing Cyclo‐meta‐Phenyl..:

MacLeod Carey, Desmond ; Muñoz-Castro, Alvaro
Dyes and Pigments.  184 (2021)  - p. 108782 , 2021
Link: https://doi.org/10.1016/..
 
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4

Heterobimetallic Catalysts for the Thermal Decomposition of..:

Arroyo, Juan Luis ; Norambuena, Ángel ; Reyes, Héctor...
Inorganic Chemistry.  60 (2021)  3 - p. 1436-1448 , 2021
Link: https://doi.org/10.1021/..
 
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5

Machine learning approach to discovery of small molecules w..:

Cañizares-Carmenate, Yudith ; Mena-Ulecia, Karel ; MacLeod Carey, Desmond...
Molecular Diversity.  26 (2021)  3 - p. 1383-1397 , 2021
Link: https://doi.org/10.1007/..
 
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6

On the search of small Cu-Ru atomically precise Superatoms...:

Rodríguez-Kessler, P.L. ; Rodríguez-Domínguez, A.R. ; Morato-Márquez, J.A....
Chemical Physics Letters.  754 (2020)  - p. 137721 , 2020
Link: https://doi.org/10.1016/..
 
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7

Visualizing NMR‐shielding effect in fullerene‐ZnPc aggregat..:

MacLeod Carey, Desmond ; Rodríguez‐Kessler, Peter L. ; Muñoz‐Castro, Alvaro
International Journal of Quantum Chemistry.  121 (2020)  5 - p. , 2020
Link: https://doi.org/10.1002/..
 
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8

Structural characterization, reactivity, and vibrational pr..:

Rodríguez-Kessler, Peter L. ; Rodríguez-Domínguez, Adán R. ; MacLeod Carey, Desmond.
Physical Chemistry Chemical Physics.  22 (2020)  46 - p. 27255-27262 , 2020
Link: https://doi.org/10.1039/..
 
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9

Evaluation of N-Heterocyclic Carbene Counterparts of Classi..:

MacLeod Carey, Desmond ; Muñoz-Castro, Alvaro
The Journal of Physical Chemistry C.  123 (2019)  19 - p. 12466-12473 , 2019
Link: https://doi.org/10.1021/..
 
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10

Au11Re: A hollow or endohedral binary cluster?:

MacLeod Carey, Desmond ; Muñoz-Castro, Alvaro
Chemical Physics Letters.  701 (2018)  - p. 30-33 , 2018
Link: https://doi.org/10.1016/..
 
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11

Chemical reactivity descriptors evaluation for determining ..:

Linares-Flores, Cristian ; Arratia-Pérez, Ramiro ; MacLeod Carey, Desmond
Chemical Papers.  71 (2017)  11 - p. 2185-2194 , 2017
Link: https://doi.org/10.1007/..
 
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12

[As@Ni12@As20]3− and [Sn@Cu12@Sn20]12− clusters. Related st..:

MacLeod Carey, Desmond ; Morales-Verdejo, Cesar ; Muñoz-Castro, Alvaro
Chemical Physics Letters.  638 (2015)  - p. 99-102 , 2015
Link: https://doi.org/10.1016/..
 
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13

A TD‐DFT basis set and density functional assessment for th..:

Barboza, Cristina Aparecida ; Vazquez, Pedro Antonio Muniz ; Mac‐Leod Carey, Desmond.
International Journal of Quantum Chemistry.  112 (2012)  20 - p. 3434-3438 , 2012
Link: https://doi.org/10.1002/..
 
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14

Inside a Superatom: The M7q (M=Cu, Ag, q=1+, 0, 1−) Case:

Muñoz‐Castro, Alvaro ; Mac‐Leod Carey, Desmond ; Arratia‐Pérez, Ramiro
ChemPhysChem.  11 (2010)  3 - p. 646-650 , 2010
Link: https://doi.org/10.1002/..
 
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15

Calculated Molecular Properties of Triangular Tribenzo and ..:

Muñoz-Castro, Alvaro ; MacLeod Carey, Desmond ; Arratia-Pérez, Ramiro
The Journal of Physical Chemistry A.  114 (2009)  1 - p. 666-672 , 2009
Link: https://doi.org/10.1021/..
 
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