Annual Reports on Computational Chemistry

1. Atomistic modelling of surface plasmon resonances
Lasse Kragh Sorensen
2. Recent Advances in Solvation Modelling Applications: Chemical Properties, Reaction Mechanisms and Catalysis
Michelle Coote and Longkun Xu
3. Entropy considerations in catalysis
Vassiliki-Alexandra Glezakou and Roger Rousseau
4. High level computational chemistry methods
Amir Karton
5. Computational Organofluorine chemistry
David Dixon

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Amine boranes; BN dative bond energies; Born-Oppenheimer; Catalysis; CCSD(T); CCSDT(Q); CCSDTQ; Chemical accuracy; Complete basis set limit; Composite ab initio methods; Computational thermochemistry; Continuum solvent; Core-valance; Correlation-consistent basis sets; Coupled-cluster theory; Data science; Enhanced sampling; Entropy; Explicit solvent simulation; G3(MP2) composite correlated molecular orbital theory; Heats of combustion; Heats of formation; High energy compounds; Jacob's Ladder; Molecular simulations; Non-equilibrium solvation; pKa values; Pople diagram; Post-CCSD(T); Quantum chemistry; Reaction pathways; Redox potentials; Scalar relativistic; Solvation; Spin-orbit