✦ LIBER ✦

On the refinement of atom–atom potential parameters in molecular crystals

✍ Scribed by Taddei, G. ;Righini, R. ;Manzelli, P.

Book ID: 114522240
Publisher: International Union of Crystallography
Year: 1977
Weight: 365 KB
Volume: 33
Category: Article
ISSN: 0567-7394
DOI: 10.1107/s0567739477001570

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Elastic-tensor atom–atom potential calcu

Elastic-tensor atom–atom potential calculations for molecular crystals: C6H6 and CO(NH2)2

✍ Pavlides, P. ;Pugh, D. ;Roberts, K. J. 📂 Article 📅 1991 🏛 International Union of Crystallography 🌐 English ⚖ 493 KB

Deformation directions obtained from ato

Deformation directions obtained from atom-atom potentials: molecular deformations in crystals

✍ T.M. Krygowski; I. Turowska-Tyrk 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 409 KB

## Forces of interatomic interactions F,, calculated from atom-atom potentials as -d V,,/dr,, allow us to interpret angular deformations in the ring of sodium pnitrobenzoate trihydrate. Calculations were made for distances r,, between the ith and jth atoms belonging to different species less than

Lattice dynamics of molecular crystals u

Lattice dynamics of molecular crystals using atom—atom and multipole—multipole potentials

✍ N. Neto; R. Righini; S. Califano; S.H. Walmsley 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 906 KB

Calculation of molecular conformation an

Calculation of molecular conformation and packing in crystals by means of atom-atom potentials

✍ A.I. Kitaigorodskii 📂 Article 📅 1968 🏛 Elsevier Science ⚖ 250 KB

The refinement of the heavy-atom paramet

The refinement of the heavy-atom parameters in the presence of non-crystallographic symmetry

✍ Rossmann, M. G. 📂 Article 📅 1976 🏛 International Union of Crystallography ⚖ 443 KB

A new synthesis for the refinement of he

A new synthesis for the refinement of heavy-atom parameters in protein crystallography

✍ Petsko, G. A. 📂 Article 📅 1976 🏛 International Union of Crystallography ⚖ 488 KB