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Pariser–Parr–Pople method
Known as:
Pariser-Parr-Pople method
, Ppp method
In molecular physics, the Pariser–Parr–Pople method applies semi-empirical quantum mechanical methods to the quantitative prediction of electronic…
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12 relations
Computer
Electronic structure
Extended Hückel method
Hückel method
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Papers overview
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2017
2017
Application of GPS sensor for recovery of precise position of aircraft in air transport
K. Krasuski
,
J. Ćwiklak
2017
Corpus ID: 59424502
The GNSS satellite technique is applied for a designation of the true position of the aircraft vehicle in air transport. In case…
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2017
2017
Analisis Sifat Optik Non-Linier pada Polimer poli (p-fenilen vinilen) dengan Menggunakan Metode Pariser-Parr-Pople (PPP) Studi kasus: Molekul Fenilen Vinilen
Eka Suarso
2017
Corpus ID: 146056223
Bahan polimer merupakan bahan yang mempunyai potensi aplikasi sebagai bahan optik untuk teknologi komunikasi. Bahan tersebut…
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2014
2014
Triplet excitations in graphene-based systems
V. Posvyanskiy
,
L. Arnarson
,
P. Hedegård
2014
Corpus ID: 118448458
In this paper we investigate the excitations in a single graphene layer and in a single-walled carbon nanotube, i.e. the spectrum…
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2008
2008
[Rezension von] Rolf Große (Hg.): Suger en question. Regards croisés sur Saint-Denis : Pariser Historische Studien 68, München 2004
Anja Rathmann-Lutz
2008
Corpus ID: 160070367
2006
2006
Katalogeintrag Nr. 496 : "Pariser Perikopenbuch"
A. Worm
2006
Corpus ID: 176298404
2003
2003
Exchange–correlation energy in the orbital occupancy method: electronic structure of organic molecules
R Oszwaldowski
,
H. Vázquez
,
P. Pou
,
J. Ortega
,
R Pérez
,
F. Flores
2003
Corpus ID: 250884851
A new DF-LCAO (density functional with local combination of atomic orbitals) method is used to calculate the electronic…
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2003
2003
Quantum chemical investigation of biexcitons in conjugated polymers
M. Pasquinelli
,
D. Yaron
2003
Corpus ID: 30056476
The formation of biexcitons in conjugated polymers is examined within the Pariser–Parr–Pople (PPP) model of polyacetylene. The…
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1993
1993
Ab initio molecular orbital studies for compounds of magnesium
P. Gardner
,
S. Preston
,
Rachel Siertsema
,
D. Steele
Journal of Computational Chemistry
1993
Corpus ID: 27771350
Using a 6‐311G** basis set with estimation of correlation energy at the MP2 level, structural and energetic data for 40 molecular…
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1992
1992
Semistochastic approach to many electron systems
M. K. Grossjean
,
M. Grossjean
,
K. Schulten
,
P. Tavan
1992
Corpus ID: 18680562
A Pariser–Parr–Pople (PPP) Hamiltonian of an 8π electron system of the molecule octatetraene, represented in a configuration…
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1965
1965
Calculation of electronic spectra of aza-benzenes and aza-naphthalenes by a simplified version of the Pariser- Parr-Pople method
G. Favini
,
I. Vandoni
,
M. Simonetta
1965
Corpus ID: 93994396
The simplified version given by Heilbronner and others of the P-treatment was used to calculate transition energies and…
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