Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set
Publication
, Journal Article
Facelli, JC; Contreras, RH
Published in: Zeitschrift Fur Naturforschung Section A Journal of Physical Sciences
December 1, 1980
Mulliken population analysis with 2p polarization functions included in the AO basis set of the INDO method has been performed for a set of molecules containing hydrogen as well as first row atoms. It is found that this enlargement of the basis set yields an increasing electron population in hydrogen atoms, in agreement with trends found in “initio” methods. © 1980, Walter de Gruyter. All rights reserved.
Duke Scholars
Published In
Zeitschrift Fur Naturforschung Section A Journal of Physical Sciences
DOI
EISSN
1865-7109
ISSN
0932-0784
Publication Date
December 1, 1980
Volume
35
Issue
12
Start / End Page
1350 / 1353
Related Subject Headings
- General Physics
- 5104 Condensed matter physics
- 3406 Physical chemistry
- 3402 Inorganic chemistry
- 0306 Physical Chemistry (incl. Structural)
- 0201 Astronomical and Space Sciences
Citation
APA
Chicago
ICMJE
MLA
NLM
Facelli, J. C., & Contreras, R. H. (1980). Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set. Zeitschrift Fur Naturforschung Section A Journal of Physical Sciences, 35(12), 1350–1353. https://doi.org/10.1515/zna-1980-1215
Facelli, J. C., and R. H. Contreras. “Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set.” Zeitschrift Fur Naturforschung Section A Journal of Physical Sciences 35, no. 12 (December 1, 1980): 1350–53. https://doi.org/10.1515/zna-1980-1215.
Facelli JC, Contreras RH. Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set. Zeitschrift Fur Naturforschung Section A Journal of Physical Sciences. 1980 Dec 1;35(12):1350–3.
Facelli, J. C., and R. H. Contreras. “Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set.” Zeitschrift Fur Naturforschung Section A Journal of Physical Sciences, vol. 35, no. 12, Dec. 1980, pp. 1350–53. Scopus, doi:10.1515/zna-1980-1215.
Facelli JC, Contreras RH. Population Analysis with Hydrogen 2 p Polarization Functions Included in the INDO Basis Set. Zeitschrift Fur Naturforschung Section A Journal of Physical Sciences. 1980 Dec 1;35(12):1350–1353.
Published In
Zeitschrift Fur Naturforschung Section A Journal of Physical Sciences
DOI
EISSN
1865-7109
ISSN
0932-0784
Publication Date
December 1, 1980
Volume
35
Issue
12
Start / End Page
1350 / 1353
Related Subject Headings
- General Physics
- 5104 Condensed matter physics
- 3406 Physical chemistry
- 3402 Inorganic chemistry
- 0306 Physical Chemistry (incl. Structural)
- 0201 Astronomical and Space Sciences