Tomás Rocha-Rinza

Latest

Effect of Explicit Hydration on the Cisplatin Reaction Mechanism with Adenine and Guanine
Interacting Quantum Atoms Analysis of Covalent and Collective Interactions in Single Elongated Carbon–Carbon Bonds
Real Space Partitioning of the First Hyperpolarizability
Effect of Explicit Hydration on the Cisplatin Reaction Mechanism with Adenine and Guanine
Atoms in molecules in real space: a fertile field for chemical bonding
A QCT View of the Interplay between Hydrogen Bonds and Aromaticity in Small CHON Derivatives
Partition of the electronic energy of the PM7 method via the interacting quantum atoms approach
Stronger-together: the cooperativity of aurophilic interactions
On the Relationship between Hydrogen Bond Strength and the Formation Energy in Resonance-Assisted Hydrogen Bonds
The nature of the intermolecular interaction in (H2X)2 (X = O, S, Se)
Directing the Crystal Packing in Triphenylphosphine Gold(I) Thiolates by Ligand Fluorination
Front Cover: Photochemistry in Real Space: Batho‐ and Hypsochromism in the Water Dimer (Chem. Eur. J. 71/2020)
Interacting Quantum Atoms—A Review
Photochemistry in Real Space: Batho‐ and Hypsochromism in the Water Dimer
Partition of electronic excitation energies: the IQA/EOM-CCSD method
Cooperative and anticooperative effects in resonance assisted hydrogen bonds in merged structures of malondialdehyde
Performance of the RI and RIJCOSX approximations in the topological analysis of the electron density
Structural effects of trifluoromethylation and fluorination in gold(i) BIPHEP fluorothiolates
The bifunctional catalytic role of water clusters in the formation of acid rain
π-Backbonding and non-covalent interactions in the JohnPhos and polyfluorothiolate complexes of gold(i)
Hydrogen bond cooperativity and anticooperativity within the water hexamer.
Partitioning the DFT exchange-correlation energy in line with the interacting quantum atoms approach
The nature of resonance-assisted hydrogen bonds: a quantum chemical topology perspective
Dynamical correlation within the Interacting Quantum Atoms method through coupled cluster theory