Faraday Symposia of the Chemical Society

2024-4-22

Ab initio Hartree–Fock calculations for periodic systems

1984-1-1

Numerical perturbation calculations for diatomic molecules

1984-1-1

Studies of molecular states using spin-coupled valence-bond theory

1984-1-1

General discussion

1984-1-1

Generalizations of the multiconfigurational time-dependent Hartree–Fock approach

1984-1-1

Author index

1984-1-1

Structure, stability and energetics of the neutral and singly and doubly ionized first- and second-row hydrides

1984-1-1

General introduction. Computational quantum chemistry ? 1984

1984-1-1

Contents pages

1984-1-1

MCSCF gradient calculation of transition structures in organic reactions

1984-1-1

Current status of the multiconfiguration–configuration interaction (MC–CI) method as applied to molecules containing transition-metal atoms

1984-1-1

Additional remarks

1984-1-1

Ab initio calculations on weakly bonded systems

1984-1-1

Calculation of molecular spectra. Electronic transitions, vibrational patterns and radiative lifetimes of spin-allowed and spin-forbidden transitions

1984-1-1

The Lennard-Jones lecture: the value of very-high-accuracy calculations in quantum chemistry

1984-1-1

List of posters

1984-1-1

Front cover

1984-1-1

Potential-energy surfaces for chemical reactions. Dimerization of CH2 and SiH2, the S N2 reaction in gas-phase clusters and CH activation in transition-metal complexes

1984-1-1

Silacyclobutadiene: singlet and triplet geometries, vibrational frequencies and electronic structures

1984-1-1

Viscoelastic properties of entangled flexible polymers

1983-1-1

Viscoelasticity of concentrated solutions of stiff polymers

1983-1-1

Dynamics of molten polymers on the sub-molecular scale. Application of small-angle neutron scattering to transient relaxation

1983-1-1

Contents pages

1983-1-1

An experimental approach to the molecular viscoelasticity of bulk polymers by spectroscopic techniques: neutron scattering, infrared dichroism and fluorescence polarization

1983-1-1

General discussion

1983-1-1

Molecular viscoelasticity of xanthan polysaccharide

1983-1-1

Dynamics of xanthan biopolymer in semi-dilute aqueous solution studied by photon correlation spectroscopy. Comparison with solution viscosities

1983-1-1

Viscoelastic studies of reptational motion of linear polydimethylsiloxanes

1983-1-1

Dynamics of entangled flexible polymers. Monte Carlo simulations and their interpretation

1983-1-1

Author index

1983-1-1

List of posters

1983-1-1

Studies of the concentration dependence of the conformational dynamics of solutions containing linear, star or comb homopolymers

1983-1-1

Dynamics of entangled star-branched polymers

1983-1-1

Rheological behaviour of branched polymer molecules

1983-1-1

Concentration dependence of the viscoelastic properties of polymer solutions

1983-1-1

The shape and stiffness dependence of transport properties of macromolecules

1983-1-1

Front cover

1983-1-1

THERMODYNAMICS OF CAVITY FORMATION IN WATER - A MOLECULAR-DYNAMICS STUDY

1982-1-1

Infrared and nuclear magnetic resonance studies pertaining to the cage model for solutions of acetone in water

1982-1-1

Contents pages

1982-1-1

Hydrophobic moments and protein structure

1982-1-1

Front cover

1982-1-1

Molecular librations and solvent orientational correlations in hydrophobic phenomena

1982-1-1

Late remarks

1982-1-1

Nuclear magnetic resonance relaxation investigation of tetrahydrofuran and methyl iodide clathrates

1982-1-1

Application of the Kirkwood–Buff theory to the problem of hydrophobic interactions

1982-1-1

Geometric relaxation in water. Its role in hydrophobic hydration

1982-1-1

Isothermal transport properties in solutions of symmetrical tetra-alkylammonium bromides

1982-1-1

Precise vapour-pressure measurements of the solubilization of benzene by aqueous sodium octylsulphate solutions

1982-1-1