Peel, a modified PPP method, applied on the spectra of some nucleic acid bases.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 517, doi. 10.1002/qua.560370420
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- Publication type:
- Article
Works matching IS 00207608 AND DT 1990 AND VI 37 AND IP 4
Results: 27
1
2
Two colorful applications of the PPP method.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 449, doi. 10.1002/qua.560370415
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- Publication type:
- Article
3
Theoretical basis and design of the PPP model Hamiltonian.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 403, doi. 10.1002/qua.560370411
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- Article
4
John A. Pople.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 315, doi. 10.1002/qua.560370404
- Publication type:
- Article
5
Rudolph Pariser.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 311, doi. 10.1002/qua.560370402
- Publication type:
- Article
6
Application of the PPP method to the calculation of ionization potentials and electron affinities of conjugated organic molecules.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 539, doi. 10.1002/qua.560370422
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- Publication type:
- Article
7
Graphical and color-pairing symmetries.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 423, doi. 10.1002/qua.560370413
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- Publication type:
- Article
8
Nonlinear phase excitations in the PPP model of polyacetylene.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 559, doi. 10.1002/qua.560370424
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- Publication type:
- Article
9
On the origins of the PPP method.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 319, doi. 10.1002/qua.560370406
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- Publication type:
- Article
10
Studies on large electronic systems with PPP: Testimony of PPP's activity.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 485, doi. 10.1002/qua.560370417
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- Publication type:
- Article
11
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. fmi, doi. 10.1002/qua.560370401
- Publication type:
- Article
12
On the connection between semiempirical molecular orbital theories and effective hamiltonians: A constrained variational point of view.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 415, doi. 10.1002/qua.560370412
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- Publication type:
- Article
13
PPP (Peel) calculations on iron porphyrins and iron phthalocyanine. Charge distribution and charge transfer.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 547, doi. 10.1002/qua.560370423
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- Article
14
Introduction.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 317, doi. 10.1002/qua.560370405
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- Publication type:
- Article
15
From PPP- MO theory to all-valence electron calculations of ionic and excited states in organic molecules.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 465, doi. 10.1002/qua.560370416
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- Publication type:
- Article
16
Announcement.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 609, doi. 10.1002/qua.560370427
- Publication type:
- Article
17
Partitioning of the Hamiltonian operator in the lie algebra formalism. Applications to the generalized brillouin theorem and the open-shell Hartree-Fock approximation.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 373, doi. 10.1002/qua.560370409
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- Publication type:
- Article
18
Quantum-chemical investigation of Buckminsterfullerene and related carbon clusters (I): The electronic structure and UV spectra of Buckminsterfullerene, and other C<sub>60</sub> cages.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 599, doi. 10.1002/qua.560370426
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- Publication type:
- Article
19
The origin of PPP theory.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 349, doi. 10.1002/qua.560370408
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- Publication type:
- Article
20
On the genesis of a theory.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 327, doi. 10.1002/qua.560370407
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- Publication type:
- Article
21
Comparison of GVB and AMO approaches to the study of the PPP model of butadiene.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 509, doi. 10.1002/qua.560370419
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- Publication type:
- Article
22
Localization in aromatic and conjugated hydrocarbons. Shape studies on canonical PPP one-electron eigenfunctions.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 529, doi. 10.1002/qua.560370421
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- Article
23
Robert G. Parr.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 313, doi. 10.1002/qua.560370403
- Publication type:
- Article
24
On the difference in bond orders between HMO and PPP methods.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 437, doi. 10.1002/qua.560370414
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- Publication type:
- Article
25
Modification of DEWAR-PI to include ring strain.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 589, doi. 10.1002/qua.560370425
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- Publication type:
- Article
26
The Hubbard connection.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 389, doi. 10.1002/qua.560370410
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- Publication type:
- Article
27
The PPP- CI scheme as a fundamental physical model.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 37, n. 4, p. 497, doi. 10.1002/qua.560370418
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- Publication type:
- Article