In this festschrift dedicated to Professor Eluvathingal D. Jemmis on the occasion of his 60th birthday, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry.

Research expedition of Prof. Eluvathingal D. Jemmis

Hunting dimers
Proton-bound homodimers involving second-row atoms
Structure-stability diagrams and stability-reactivity landscapes: a conceptual DFT study
A theoretical investigation on the effect of pi-pi stacking interaction on 1H isotropic chemical shielding in certain homo- and hetero-nuclear aromatic systems
Telluroformaldehyde and its derivatives: structures, ionization potentials, electron affinities and singlet-triplet gaps of the X2CTe and XYCTe (X,Y = H, F, Cl, Br, I and CN) species
Improved stability of water clusters (H2O)30-48: a Monte Carlo search coupled with DFT computations
A theoretical study of cation--pi interactions: Li+, Na+, K+, Be2+, Mg2+ and Ca2+ complexation with mono- and bicyclic ring-fused benzene derivatives
Binuclear dimethylaminoborole iron carbonyls: iron-iron multiple bonding versus nitrogen iron dative bonding
Acetylene aggregates via cluster-building algorithm and molecular tailoring approach
Chemical bonding in oblatonido ditantalaboranes and related compounds
Magnitude of CH/O interactions between carbohydrate and water
Water molecule encapsulated in carbon nanotube model systems: effect of confinement and curvature
Exploration of conformations and quantum chemical investigation of L-tyrosine dimers, anions, cations and zwitterions: a DFT study
Use of quantum mechanics/molecular mechanics-based FEP method for calculating relative binding affinities of FBPase inhibitors for type-2 diabetes
Behaviour of density functional theory for electric response properties at distorted geometries of molecules
The bonding in hexagonal Ba2/3Pt3B2 and CeCo3B2 type ternary metal borides
Effect of substituents at the heteroatom on the structure and ligating properties of carbodicarbenes and its silicon analogs: a theoretical study
Density functional theory studies on the Diels-Alder reaction of [3]dendralene with C60: An attractiveapproach for functionalization of fullerene
Tautomerism in drugs with benzimidazole carbamate moiety: an electronic structure analysis..