Theoretical Chemistry Accounts

Perspectives.- Perspective on "Zur Quantentheorie der Spektrallinien".- A Perspective on "Volume and heat of hydration of ions".- Perspective on "Zur Quantentheorie der Molekeln".- Perspective on "Wechselwirkung neutraler Atome und homöopolare Bindung nach der Quantenmechanik".- Perspective on "Neue Berechnung der Energie des Heliums im Grundzustande, sowie des tiefsten Terms von Ortho-Helium".- Perspective on "Quantum mechanics of many-electron systems".- Perspective on "Quantentheoretische Beiträge zum Benzolproblem. I. Die Elektronenkonfiguration des Benzols und verwandter Beziehungen".- Perspective on "The activated complex in chemical reactions".- Cavity and reaction field: "robust" concepts. Perspective on "Electric moments of molecules in liquids".- Perspective on "The transition state method".- Perspective on "Conduction in polar crystals. I. Electrolyte conduction in solid salts".- Reaction rates in condensed phases. Perspective on "Brownian motion in a field of force and the diffusion model of chemical reactions".- Perspective on "The effect of shape on the interaction of colloidal particles".- Perspective on Norman Ramsey's theories of NMR chemical shifts and nuclear spin-spin coupling.- Perspective on "New developments in molecular orbital theory".- Perspective on "A molecular orbital theory of reactivity in aromatic hydrocarbons".- Perspective on "The spectra and electronic structure of the tetrahedral ions MnO 4 ? , CrO 4 ? , and ClO 4 ? ".- Perspective on "Equation of state calculations by fast computing machines".- Perspective on "Quantum theory of many-particle systems I, II, and III".- Perspective on "On the theory of oxidation-reduction reactions involvingelectron transfer. I".- Perspective on "Statistical mechanical theory of irreversible processes. I. General theory and simple applications to magnetic and conduction problems.".- Using classical mechanics in a quantum framework. Perspective on "Semiclassical description of scattering".- Chemical building blocks in quantum chemical calculations. Perspective on "The density matrix in many-electron quantum mechanics I. Generalized product functions. Factorization and physical interpretation of the density matrices".- Perspective on "Some recent developments in the theory of molecular energy levels".- Perspective on "The physical nature of the chemical bond".- Perspective on "An extended Hückel theory. I. Hydrocarbons".- Perspective on "Stereochemistry of polypeptide chain conformations".- Perspective on "Inhomogeneous electron gas".- Perspective on "Correlations in the motion of atoms in liquid argon".- Perspective on "Self-consistent equations including exchange and correlation effects".- Perspective on "Exchange reactions with activation energy. I. Simple barrier potential for (H, H2)".- Perspective on "On the correlation problem in atomic and molecular systems. Calculation of wavefunction components in Ursell-type expansion using quantum-field theoretical methods".- Multireference many-body methods. Perspective on "Linked-cluster expansions for the nuclear many-body problem".- Finding the way through intermolecular forces. Perspective on "Permanent and induced molecular moments and long-range intermolecular forces".- Perspective on "Molecular collisions. VIII".- Perspective on "Benzynes, dehydroconjugated molecules, and the interaction of orbitals separated by a number of intervening ? bonds".-Perspective on "Intermolecular orbital theory of the interactions between conjugated systems." I General theory; II Thermal and photochemical cycloadditions.- Two landmarks in polymer physics: the Edwards model and de Gennes' observation.- Perspective on "Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules. I. Theory".- Perspective on "Semiclassical theory of atom-diatom collisions: path integrals and the classical S matrix".- Quantum wavepacket approach to chemical reaction dynamics. Perspective on "Dynamics of the collinear H + H2 reaction. I. Probability density and flux".- Perspective on "Molecular dynamics study of liquid water".- Sugar anomerism - a short and sweet digression Perspective on "The application of ab initio molecular orbital theory to the anomeric effect".- From X?-scattered wave to end-of-the-century applications of density functional theory in chemistry. Perspective on "Chemical bonding of a molecular transition-metal ion in a crystalline environment".- Perspective on "Self-consistent molecular Hartree-Flock-Slater calculations".- Perspective on "MO approach to electronic spectra of radicals" ?ársky P, Zahradník R (1973) Top Curr Chem 43: 1.- Perspective on "Group theoretical approach to the configuration interaction and perturbation theory calculations for atomic and molecular systems".- Perspective on "Theory of self-consistent electron pairs. An iterative method for correlated many-electron wavefunctions".- Perspective on "Quantum mechanical reactive scattering for three-dimensional atom plus diatom systems. II. Accurate cross sections for H + H2".- Perspective on "Theoretical studies of enzymic reactions: dielectric, electrostatic and stericstabilization of the carbonium ion in the reaction of lysozyme".- Perspective on "Theoretical interpretation of 1-2 asymmetric induction. The importance of antiperiplanarity".- Perspective on "Dynamics of folded proteins".- Perspective on "Statistical mechanics of isomerization dynamics in liquids and the transition state approximation".- Perspective on "The energetics of enzymatic reactions".- The origin of the pseudopotential density functional method. Perspective on "Microscopic theory of phase transformation and lattice dynamics of Si".- Perspective on "Electrostatic interactions of a solute with a continuum. A direct utilization of ab initio molecular potentials for the prevision of solvent effects".- Perspective on "Density-functional theory for fractional particle number: derivative discontinuities of the energy".- Perspective on "Principles for a direct SCF approach to LCAO-MO ab initio calculations".- Perspective on "Density functional approach to the frontier-electron theory of chemical reactivity".- Perspective on "Density functional thermochemistry. III. The role of exact exchange".