D5h C50X10: Saturn-like fullerene derivatives (X=F, Cl, Br)

Davies ENDOR revisited: Enhanced sensitivity and nuclear spin relaxation

Decelerating molecules with microwave fields

Decisions, Decisions: Noise and its Effects on Integral Monte Carlo Algorithms

Decoherence in Weakly Coupled Excitonic Complexes

Decoherent Histories and Non-adiabatic Quantum Molecular Dynamics

Decomposition of formic acid

Definitive heat of formation of methylenimine, CH2=NH, and of methylenimmonium ion, CH2NH2+, by means of W2 theory

Deflection of Molecules by a Homogeneous Electric Field: A New Effect

Deflection of Rotating Symmetric Molecules by Inhomogeneous Fields

Density functional calculation of many-electron systems in cartesian coordinate grid

Density functional calculations of nuclear magnetic shieldings using the zeroth-order regular approximation (ZORA) for relativistic effects: ZORA nuclear magnetic resonance

Density functional calculations of planar DNA base-pairs

Density Functional Calculations On First-Row Transition Metals

Density functional description of water condensation in proximity of nanoscale asperity

Density Functional Study of adsorption of molecular hydrogen on graphene layers

Density functional theoretical (DFT) study for the prediction of spectroscopic parameters of ClCCCN

Density Functional Theory Approach to Noncovalent Interactions via Interacting Monomer Densities

Density Functional Theory for the Photoionization Dynamics of Uracil

Density functional theory on phase space