A Conceptual DFT Approach Towards Developing New QSTR Models
A Concise Method for Kinetic Energy Quantisation
A conclusive demonstration of vibrational pumping and determination of SERS cross sections
A continuous source of translationally cold dipolar molecules
A continuum solvent model: the DISOLV program - algorithms, implementation, and validation
A Criterion That Determines Fast Folding of Proteins: A Model Study
A Dark Excited State of Fluorescent Protein Chromophores, Considered as Brooker Dyes
A definitive heat of vaporization of silicon through benchmark ab initio calculations on SiF_4
A density matrix approach to photoinduced electron injection
A DFT Approach to Non-Covalent Interactions via Monomer Polarization and Pauli Blockade
A Diabatic Three-State Representation of Photoisomerization in the Green Fluorescent Protein Chromophore
A discharge-flow study of the self-reaction of IO
A Discrete Four Stroke Quantum Heat Engine Exploring the Origin of Friction
A double resonance approach to submillimeter/terahertz remote sensing at atmospheric pressure
A DPF analysis yields accurate analytic potentials for Li$_2(a\,^3Σ^+_u)$ and Li$_2(1\,^3 Σ^+_g)$ that incorporate 3-state mixing near the $1\,^3 Σ^+_g$-state asymptote
A dynamical model of the chemical bond
A Dynamical Theory of Electron Transfer: Crossover from Weak to Strong Electronic Coupling
A full nine-dimensional potential-energy surface for hydrogen molecule-water collisions
A full-dimensional quantum dynamical study of the vibrational ground state of $H_3O_2^-$ and its isotopomers
A fully ab initio quartic force field of spectroscopic quality for SO_3