Lugar de publicación
- Insights on the Marcus Equation, Derived Coefficients and Spaces. 130(11):2451-2459. 2026
- High-Level Coupled-Cluster Study on Substituent Effects in H2 Activation by Low-Valent Aluminyl Anions. 127(4):956-965. 2023
- Substituent Effects on Aluminyl Anions and Derived Systems: A High-Level Theory. 125(8):10379-10391. 2021
- Atom-Condensed Fukui Function in Condensed Phases and Biological Systems and Its Application to Enzymatic Fixation of Carbon Dioxide. 124(5):849-857. 2020
- Formation of Formic Acid Derivatives through Activation and Hydroboration of CO2 by Low-Valent Group 14 (Si, Ge, Sn, Pb) Catalysts. 124(6):1121-1133. 2020
- Information-Theoretic Approaches to Atoms-in-Molecules: Hirshfeld Family of Partitioning Schemes. 122(17):4219-4245. 2018
- Aromatic Lateral Substituents Influence the Excitation Energies of Hexaaza Lanthanide Macrocyclic Complexes: A Wave Function Theory and Density Functional Study. 119(38):9931-9940. 2015
- Understanding the Influence of Terminal Ligands on the Electronic Structure and Bonding Nature in [Re-6(mu(3)-Q(8))](2+) Clusters. 118(46):11083-11089. 2014
- Understanding the Physics and Chemistry of Reaction Mechanisms from Atomic Contributions: A Reaction Force Perspective. 116(27):7419-7423. 2012
- Simplex Optimization of Generalized Topological Index (GTI-Simplex): A Unified Approach to Optimize QSPR Models. 109:9890-9895. 2005