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Three- and Four-Center Trans Effects in Triply Bonded Ditungsten Complexes: An ab Initio Molecular Dynamics Study of Compounds with Stoichiometry W2Cl4(NHEt)2(PMe3)2

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Three- and Four-Center Trans Effects in Triply Bonded Ditungsten Complexes: An ab Initio Molecular Dynamics Study of Compounds with Stoichiometry W2Cl4(NHEt)2(PMe3)2

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Ultrafast Broadband Fluorescence Up-conversion Study of the Electronic Relaxation of Metalloporphyrins

HOD on Ni(111): Ab Initio molecular dynamics prediction of molecular beam experiments

Fighting Cancer with Transition Metal Complexes: From Naked DNA to Protein and Chromatin Targeting Strategies

Mimicking Enzymatic Active Sites on Surfaces for Energy Conversion Chemistry

A Theoretical Rationalisation of the Emission Properties of Prototypical Cu(I)-Phenanthroline Complexes

Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(II) organometallics

Transition Metal-Free Intermolecular alpha-C-H Amination of Ethers at Room Temperature

What Singles Out the G[8-5]C Intrastrand DNA Cross-Link? Mechanistic and Structural Insights from Quantum Mechanics/Molecular Mechanics Simulations

The Ligand-Based Quintuple Bond-Shortening Concept and Some of Its Limitations

Bridging Static and Dynamical Descriptions of Chemical Reactions: An ab Initio Study of CO2 Interacting with Water Molecules