Desmond Macleod-Carey (Desmond MacLeod Carey, Desmond MacLeod-Carey)

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 14

Top Topics

Molecular Docking

Infectious Diseases

Decision Making

Top Venues

Physical chemistry chemical physics : PCCP

Inorganic chemistry

International journal of molecular sciences

Molecular diversity

This page only lists publications with an associated author ORCID identifier.

Publications

Raul Guajardo-Maturana, Desmond Macleod-Carey, Peter L Rodríguez-Kessler, Alvaro Munoz-Castro
On the variation of cluster core characteristics by an endohedral atom. Shape variation in 8-ce [EAu 4 (PPh 3 ) 4 ] 2+ (E = N, P, As, Sb) clusters. Physical chemistry chemical physics : PCCP (2024)
Daniela Fonseca-López, Johan D Lozano, Mario A Macías, Álvaro Muñoz-Castro, Desmond Macleod-Carey, Edgar Nagles, John J Hurtado
Biological Activity of Complexes Involving Nitro-Containing Ligands and Crystallographic-Theoretical Description of 3,5-DNB Complexes. International journal of molecular sciences 25 (12) (2024)
Daniela Fonseca-López, Johan D Lozano, Mario A Macías, Álvaro Muñoz-Castro, Desmond Macleod-Carey, Edgar Nagles, John J Hurtado
Biological Activity of Complexes Involving Nitro-Containing Ligands and Crystallographic-Theoretical Description of 3,5-DNB Complexes. International journal of molecular sciences 25 (12) (2024)
Raul Guajardo-Maturana, Desmond Macleod-Carey, Peter L Rodríguez-Kessler, Alvaro Munoz-Castro
On the variation of cluster core characteristics by an endohedral atom. Shape variation in 8-ce [EAu 4 (PPh 3 ) 4 ] 2+ (E = N, P, As, Sb) clusters. Physical chemistry chemical physics : PCCP 26 (30) (2024)
Daniela Fonseca-López, Johan D Lozano, Mario A Macías, Álvaro Muñoz-Castro, Desmond Macleod-Carey, Edgar Nagles, John J Hurtado
Biological Activity of Complexes Involving Nitro-Containing Ligands and Crystallographic-Theoretical Description of 3,5-DNB Complexes. International journal of molecular sciences 25 (12) (2024)
Desmond Macleod-Carey, Alvaro Munoz-Castro
Switch from local to global aromatic character in Möbius carbon nanobelts upon dioxidation. Evaluation of magnetic behavior in neutral and charged species. Physical chemistry chemical physics : PCCP (2023)
Desmond Macleod-Carey, Peter L Rodríguez-Kessler, Alvaro Munoz-Castro
Cl@Si 20 X 20 cages: evaluation of encapsulation nature, structural rigidity, and 29 Si-NMR patterns using relativistic DFT calculations. Physical chemistry chemical physics : PCCP (2023)
Jianyu Wei, Desmond Macleod-Carey, Jean-François Halet, Samia Kahlal, Jean-Yves Saillard, Alvaro Munoz-Castro
From 8- to 18-Cluster Electrons Superatoms: Evaluation via DFT Calculations of the Ligand-Protected W@Au 12 (dppm) 6 Cluster Displaying Distinctive Electronic and Optical Properties. Inorganic chemistry (2023)
Jianyu Wei, Desmond Macleod-Carey, Jean-François Halet, Samia Kahlal, Jean-Yves Saillard, Alvaro Munoz-Castro
From 8- to 18-Cluster Electrons Superatoms: Evaluation via DFT Calculations of the Ligand-Protected W@Au 12 (dppm) 6 Cluster Displaying Distinctive Electronic and Optical Properties. Inorganic chemistry 62 (7) (2023)
Desmond Macleod-Carey, Alvaro Munoz-Castro
Switch from local to global aromatic character in Möbius carbon nanobelts upon dioxidation. Evaluation of magnetic behavior in neutral and charged species. Physical chemistry chemical physics : PCCP 25 (6) (2023)
Desmond Macleod-Carey, Alvaro Munoz-Castro
Enabling dual aromaticity in fused nanobelts: evaluation of the magnetic behavior of fused [10]CPP units. Physical chemistry chemical physics : PCCP 24 (43) (2022)
Yudith Cañizares-Carmenate, Karel Mena-Ulecia, Desmond Macleod-Carey, Yunier Perera-Sardiña, Erix W Hernández-Rodríguez, Yovani Marrero-Ponce, Francisco Torrens, Juan A Castillo-Garit
Machine learning approach to discovery of small molecules with potential inhibitory action against vasoactive metalloproteases. Molecular diversity (2021)
Emilio Lamazares, Desmond Macleod-Carey, Fernando P Miranda, Karel Mena-Ulecia
Theoretical Evaluation of Novel Thermolysin Inhibitors from Bacillus thermoproteolyticus. Possible Antibacterial Agents. Molecules (Basel, Switzerland) 26 (2) (2021)
Juan Luis Arroyo, Ángel Norambuena, Héctor Reyes, Cristian Valdebenito, Gabriel Abarca, Desmond Macleod-Carey, Cesar Morales-Verdejo
Heterobimetallic Catalysts for the Thermal Decomposition of Ammonium Perchlorate: Efficient Burning Rate Catalysts for Solid Rocket Motors and Missiles. Inorganic chemistry 60 (3) (2021)