QTCOVI – Theoretical and Computational Chemistry
QTCOVI – Theoretical and Computational Chemistry
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José Manuel Guevara‐Vela
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Does Aromaticity Play a Role in Electronic and Structural Properties of YBn (n=2–14) Clusters?
Efficient implementation of the interacting quantum atoms energy partition of the second‐order Møller–Plesset energy
Front Cover: Photochemistry in Real Space: Batho‐ and Hypsochromism in the Water Dimer (Chem. Eur. J. 71/2020)
Photochemistry in Real Space: Batho‐ and Hypsochromism in the Water Dimer
Exotic Bonding Regimes Uncovered in Excited States
Halogen Bonds in Clathrate Cages: A Real Space Perspective
Stability and trans Influence in Fluorinated Gold(I) Coordination Compounds
Chemical bonding in excited states: Energy transfer and charge redistribution from a real space perspective
Cover Feature: Where Does Electron Correlation Lie? Some Answers from a Real Space Partition (ChemPhysChem 24/2017)
Hydrogen-Bond Weakening through π Systems: Resonance-Impaired Hydrogen Bonds (RIHB)
Where Does Electron Correlation Lie? Some Answers from a Real Space Partition
Hydrogen-Bond Cooperative Effects in Small Cyclic Water Clusters as Revealed by the Interacting Quantum Atoms Approach
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