Author Institution: Department of Chemistry, Macalester College; Department of Chemistry, Michigan State UniversityThe use of vector analysis of single crystals was demonstrated by Patterson in 1935 when he improved upon the previously used radial distribution function to generate the analysis which now bears his name. The use of molecular packing analysis for studying non-bonded interactions in single crystals has lead us to formulation of vector equations which make use of the static equilibrium nature of these crystals so that we may solve ``the force equal to zero” problem. One consequence of this technique is the reduced dependence on X-ray data. This system of analysis was instrumental in the correction of the crystal structure of eth...
Author Institution: Department of Chemistry, Harvard UniversityThe correlation between molecular cry...
A general, computationally easy method for minimizing the steric energy of a molecule, polymer, surf...
An insight into current possibilities of obtaining the sublimation pressures for molecular crystals ...
Author Institution: Department of Chemistry, Macalester College; Department of Chemistry, Michigan S...
A database of 43 literature X-ray crystal structure determinations for compounds with known, or poss...
The nature of cohesive energies in organic crystals will be reviewed, with its expression in terms o...
Elements of a theory of crystal packing are presented in the form of a systematic analysis of crysta...
Crystal structure prediction (CSP) has been a problem of great industrial interest but also a fundam...
The energy of interaction between molecules is commonly expressed in terms of four key components: e...
We present a new method to calculate lattice and intermolecular interaction energies for molecular c...
The Pople and Karasz theory of melting of molecular crystals, which is based on the theory of meltin...
The analysis of atom-to-atom and/or residue-to-residue contacts remains a favoured mode of analysing...
The lattice energies of 47 crystal structures of organic compounds spanning a wide range of chemical...
The atom-atom intermol. force field AA-CLP with subdivision of interaction energies into Coulomb-pol...
The lattice energy <i>E</i><sub>latt</sub> of the two-component crystals (three co-crystals, a salt,...
Author Institution: Department of Chemistry, Harvard UniversityThe correlation between molecular cry...
A general, computationally easy method for minimizing the steric energy of a molecule, polymer, surf...
An insight into current possibilities of obtaining the sublimation pressures for molecular crystals ...
Author Institution: Department of Chemistry, Macalester College; Department of Chemistry, Michigan S...
A database of 43 literature X-ray crystal structure determinations for compounds with known, or poss...
The nature of cohesive energies in organic crystals will be reviewed, with its expression in terms o...
Elements of a theory of crystal packing are presented in the form of a systematic analysis of crysta...
Crystal structure prediction (CSP) has been a problem of great industrial interest but also a fundam...
The energy of interaction between molecules is commonly expressed in terms of four key components: e...
We present a new method to calculate lattice and intermolecular interaction energies for molecular c...
The Pople and Karasz theory of melting of molecular crystals, which is based on the theory of meltin...
The analysis of atom-to-atom and/or residue-to-residue contacts remains a favoured mode of analysing...
The lattice energies of 47 crystal structures of organic compounds spanning a wide range of chemical...
The atom-atom intermol. force field AA-CLP with subdivision of interaction energies into Coulomb-pol...
The lattice energy <i>E</i><sub>latt</sub> of the two-component crystals (three co-crystals, a salt,...
Author Institution: Department of Chemistry, Harvard UniversityThe correlation between molecular cry...
A general, computationally easy method for minimizing the steric energy of a molecule, polymer, surf...
An insight into current possibilities of obtaining the sublimation pressures for molecular crystals ...