volume 51 issue 4 pages 1654-1659

Cartesian Coordinates of Molecular Models

Publication typeJournal Article
Publication date1969-08-15
scimago Q1
wos Q2
SJR0.819
CiteScore5.3
Impact factor3.1
ISSN00219606, 10897690
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract

A procedure has been developed for calculating the Cartesian coordinates of atoms in a molecule in terms of a minimal set of geometric parameters. The superiority of this method arises from the use of symmetry operations to simplify the calculation. An additional advantage occurs through the definition of several types of standard connections which facilitate locating the atoms in the coordinate framework. Three illustrative examples are included. A listing of the program is available from the author upon request.

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GOST |
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GOST Copy
Hilderbrandt R. L. Cartesian Coordinates of Molecular Models // Journal of Chemical Physics. 1969. Vol. 51. No. 4. pp. 1654-1659.
GOST all authors (up to 50) Copy
Hilderbrandt R. L. Cartesian Coordinates of Molecular Models // Journal of Chemical Physics. 1969. Vol. 51. No. 4. pp. 1654-1659.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1063/1.1672229
UR - https://doi.org/10.1063/1.1672229
TI - Cartesian Coordinates of Molecular Models
T2 - Journal of Chemical Physics
AU - Hilderbrandt, R L
PY - 1969
DA - 1969/08/15
PB - AIP Publishing
SP - 1654-1659
IS - 4
VL - 51
SN - 0021-9606
SN - 1089-7690
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{1969_Hilderbrandt,
author = {R L Hilderbrandt},
title = {Cartesian Coordinates of Molecular Models},
journal = {Journal of Chemical Physics},
year = {1969},
volume = {51},
publisher = {AIP Publishing},
month = {aug},
url = {https://doi.org/10.1063/1.1672229},
number = {4},
pages = {1654--1659},
doi = {10.1063/1.1672229}
}
MLA
Cite this
MLA Copy
Hilderbrandt, R. L.. “Cartesian Coordinates of Molecular Models.” Journal of Chemical Physics, vol. 51, no. 4, Aug. 1969, pp. 1654-1659. https://doi.org/10.1063/1.1672229.