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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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2017
2017
Application the PPP Method in aircraft positioning in air navigation
K. Krasuski
2017
Corpus ID: 149880136
In this paper the PPP (Precise Point Positioning) method was applied for designation the position of the aircraft in air…
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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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2012
2012
Einbettung der OEZA in die Armutsbekämpfungsstrategie von Mosambik
S. Eder
2012
Corpus ID: 194822703
Wie viele bilaterale Geber steht auch die Osterreichische Entwicklungszusammenarbeit (OEZA) vor dem Dilemma, dass es immer…
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2008
2008
Colour and Constitution of 1,4‐Naphthoquinonoid Dyes ‐ Modified PPP MO Calculations and Substituent Effects
M. Matsuoka
,
K. Takagi
,
H. Obayashi
,
Kazuyuki Wakasugi
,
T. Kitao
2008
Corpus ID: 29404595
Calculation of the n-electron excitation energies of naphthoquinonoid dyes has been carried out by means of the Pariser—Parr…
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2006
2006
Scaling law for second-order hyperpolarizability of finite periodic chain under Su-Schrieffer-Heeger model
Shidong Jiang
,
Min-Zhong Xu
2006
Corpus ID: 7454639
The analytical expression of the second hyperpolarizability γN (−3ω;ω, ω, ω) with N double-bonds finite chain is obtained under…
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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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1999
1999
A new direct a & inifio dynamics method for calculating thermal rate constants from density functional theory
Thanh N. Truonga
,
Wendell T. Duncan
1999
Corpus ID: 16483972
We present a new direct ab iaitio dynamics methodology-for calculating thermal rate constants from density functional theory (DFT…
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1998
1998
Molecular crystal approach for π-conjugated polymers : from PPP Hamiltonian to Holstein model for polaron states
S. Pleutin
,
J. Fave
1998
Corpus ID: 9519967
Starting from the π-electron Pariser-Parr-Pople (PPP) Hamiltonian which includes both strong electron-phonon and electron…
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1995
1995
Pariser Architektur zwischen 1750 und 1800 : die Entstehung des Elementarismus
M. Häberle
1995
Corpus ID: 191043830
1991
1991
Theoretical calculations on the transition energies of the UV-visible spectra of curcurnin pigment in turmeric
K. Balasubramanian
1991
Corpus ID: 59465070
Theoretical calculations based on the Pariser-ParrPople (PPP) hamiltonian have been performed on two forms of a model compound…
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