HABIT - a program for predicting the morphology of molecular crystals
| Main Author: | CPC, Mendeley |
|---|---|
| Other Authors: | Clydesdale, G., Docherty, R., Roberts, K.J. |
| Format: | Dataset |
| Terbitan: |
Mendeley
, 1991
|
| Subjects: | |
| Online Access: |
https:/data.mendeley.com/datasets/bwbw83ysgr |
| ctrlnum |
0.17632-bwbw83ysgr.1 |
|---|---|
| fullrecord |
<?xml version="1.0"?>
<dc><creator>CPC, Mendeley</creator><title>HABIT - a program for predicting the morphology of molecular crystals </title><publisher>Mendeley</publisher><description>Abstract
A FORTRAN program HABIT, which has been developed to aid in morphological predictions of molecular crystals, is described. The program generates a three-dimensional model of the crystal by translating a unit cell along the crystal directions to create a sphere limited by a user-defined radius. By a pairwise summation of the atom-atom interactions between a central molecule and all other molecules inside the sphere, the pogram calculates the lattice, slice and attachment energies. Since the at...
Title of program: HABIT
Catalogue Id: ABZL_v1_0
Nature of problem
The relationship between the internal arrangement of a crystal and its external appearance.
Versions of this program held in the CPC repository in Mendeley Data
ABZL_v1_0; HABIT; 10.1016/0010-4655(91)90040-R
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)</description><subject>Crystallography</subject><subject>Computational Physics</subject><contributor>Clydesdale, G.</contributor><contributor>Docherty, R.</contributor><contributor>Roberts, K.J.</contributor><type>Other:Dataset</type><identifier>10.17632/bwbw83ysgr.1</identifier><rights>Computer Physics Communications Journal Licence</rights><rights>https://www.elsevier.com/about/policies/open-access-licenses/elsevier-user-license/cpc-license/</rights><relation>https:/data.mendeley.com/datasets/bwbw83ysgr</relation><date>1991-01-01T12:00:00Z</date><recordID>0.17632-bwbw83ysgr.1</recordID></dc>
|
| format |
Other:Dataset Other |
| author |
CPC, Mendeley |
| author2 |
Clydesdale, G. Docherty, R. Roberts, K.J. |
| title |
HABIT - a program for predicting the morphology of molecular crystals |
| publisher |
Mendeley |
| publishDate |
1991 |
| topic |
Crystallography Computational Physics |
| url |
https:/data.mendeley.com/datasets/bwbw83ysgr |
| contents |
Abstract
A FORTRAN program HABIT, which has been developed to aid in morphological predictions of molecular crystals, is described. The program generates a three-dimensional model of the crystal by translating a unit cell along the crystal directions to create a sphere limited by a user-defined radius. By a pairwise summation of the atom-atom interactions between a central molecule and all other molecules inside the sphere, the pogram calculates the lattice, slice and attachment energies. Since the at...
Title of program: HABIT
Catalogue Id: ABZL_v1_0
Nature of problem
The relationship between the internal arrangement of a crystal and its external appearance.
Versions of this program held in the CPC repository in Mendeley Data
ABZL_v1_0; HABIT; 10.1016/0010-4655(91)90040-R
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) |
| id |
IOS7969.0.17632-bwbw83ysgr.1 |
| institution |
Universitas Islam Indragiri |
| affiliation |
onesearch.perpusnas.go.id |
| institution_id |
804 |
| institution_type |
library:university library |
| library |
Teknologi Pangan UNISI |
| library_id |
2816 |
| collection |
Artikel mulono |
| repository_id |
7969 |
| city |
INDRAGIRI HILIR |
| province |
RIAU |
| shared_to_ipusnas_str |
1 |
| repoId |
IOS7969 |
| first_indexed |
2020-04-08T08:12:13Z |
| last_indexed |
2020-04-08T08:12:13Z |
| recordtype |
dc |
| _version_ |
1686587392290455553 |
| score |
17.538404 |