𝔖 Bobbio Scriptorium
✦   LIBER   ✦

On the determination of intermolecular vectors in molecular crystals by a modified Patterson function

✍ Scribed by Giglio, E. ;Liquori, A. M. ;Ripamonti, A.

Book ID
114517548
Publisher
International Union of Crystallography
Year
1958
Tongue
English
Weight
361 KB
Volume
11
Category
Article
ISSN
0365-110X

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

A new rotation function for molecular re
A new rotation function for molecular replacement by using both the self and cross Patterson vectors
✍ Jiang, Fan πŸ“‚ Article πŸ“… 2008 πŸ› International Union of Crystallography 🌐 English βš– 163 KB

The rotation function in molecular replacement is traditionally computed in reciprocal space. The common practice is to use a Patterson vector radius of about the size of the target molecule to limit the interatomic vectors to match only the Patterson self-vectors. In real space, the molecular image

Intra- and intermolecular interactions i
Intra- and intermolecular interactions in crystals of polar molecules. A study by the mixed quantum mechanical/molecular mechanical SCMP-NDDO method
✍ GyΓΆrgy G. Ferenczy; JΓ‘nos G. ÁngyΓ‘n πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 180 KB πŸ‘ 2 views

## Abstract Stabilization energies of crystals of polar molecules were calculated with the recently developed NDDO‐SCMP method that determines the wave function of a subunit embedded in the symmetrical environment constituted by the copies of the subunit. The total stabilization energies were decom