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Electron density and related properties in stereoregular polymers and biopolymers.
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- Journal of Computational Chemistry, 1984, v. 5, n. 4, p. 349, doi. 10.1002/jcc.540050411
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- Publication type:
- Article
Jacobsen and Beckwith-Wiedemann syndromes in a child with mosaicism for partial 11pter trisomy and partial 11qter monosomy.
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- American Journal of Medical Genetics. Part A, 2013, v. 161A, n. 2, p. 331, doi. 10.1002/ajmg.a.35708
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- Article
Ab initio quantum chemical and ReaxFF-based study of the intramolecular iminium-enamine conversion in a proline-catalyzed reaction.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 8, p. 1, doi. 10.1007/s00214-012-1261-4
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- Article
Access to healthcare for undocumented migrants in France: a critical examination of State Medical Assistance.
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- Public Health Reviews (2107-6952), 2016, v. 37, n. 1, p. 1, doi. 10.1186/s40985-016-0017-4
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- Article
Long-range interactions in periodic helices. A method for accurate calculation at the hartree-fock level.
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- International Journal of Quantum Chemistry, 1980, v. 18, p. 405, doi. 10.1002/qua.560180842
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- Article
All-electrons band structure of Polyene.
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- International Journal of Quantum Chemistry, 1971, v. 5, n. 5, p. 557, doi. 10.1002/qua.560050509
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- Article
L'Etude Théorique des Systèmes Périodiques. I. La Méthode.
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- International Journal of Quantum Chemistry, 1967, v. 1, n. 4, p. 427, doi. 10.1002/qua.560010415
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- Article
L'Étude Théorique des Systèmes Périodiques. II. La Méthode.
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- International Journal of Quantum Chemistry, 1967, v. 1, n. 4, p. 451, doi. 10.1002/qua.560010416
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- Publication type:
- Article
Pyrrolidine-based dye-sensitized solar cells: A time-dependent density functional theory investigation of the excited state electronic properties.
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- International Journal of Quantum Chemistry, 2012, v. 112, n. 9, p. 2072, doi. 10.1002/qua.23153
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- Publication type:
- Article
Nonresonant frequency dispersion of the electronic second hyperpolarizability of all-trans polysilane chains: An ab initio TDHF oligomeric approach.
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- International Journal of Quantum Chemistry, 1998, v. 70, n. 4/5, p. 751, doi. 10.1002/(SICI)1097-461X(1998)70:4/5<751::AID-QUA21>3.0.CO;2-3
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- Article
Electron correlation effects upon the static (hyper)polarizabilities of push-pull conjugated polyenes and polyynes.
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- International Journal of Quantum Chemistry, 1997, v. 65, n. 5, p. 679, doi. 10.1002/(SICI)1097-461X(1997)65:5<679::AID-QUA34>3.0.CO;2-V
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- Publication type:
- Article
Electronic properties of flavins: Implications on the reactivity and absorption properties of flavoproteins.
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- International Journal of Quantum Chemistry, 1997, v. 64, n. 6, p. 721, doi. 10.1002/(SICI)1097-461X(1997)64:6<721::AID-QUA9>3.0.CO;2-Y
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- Publication type:
- Article
Ab initio dynamic polarizabilities of polymers. I. Hydrogen chain models.
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- International Journal of Quantum Chemistry, 1996, v. 57, n. 5, p. 811, doi. 10.1002/(SICI)1097-461X(1996)57:5<811::AID-QUA1>3.0.CO;2-0
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- Publication type:
- Article
Ab initio investigation of the static polarizability of planar and twisted infinite polythiophene chains.
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- International Journal of Quantum Chemistry, 1994, v. 52, p. 451, doi. 10.1002/qua.560520842
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- Article
Ab initio determination of polarizabilities per subunit in polymeric systems using the polarization propagator: Application to model hydrogen chains.
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- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 1, doi. 10.1002/qua.560460102
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- Article
Enrico clementi: Gradus ad parnassum.
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- International Journal of Quantum Chemistry, 1993, v. 45, n. 6, p. 507, doi. 10.1002/qua.560450604
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- Article
Ab initio coupled and uncoupled Hartree-Fock calculations of the polarizabilities of finite and infinite polyacetylene chains.
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- International Journal of Quantum Chemistry, 1993, v. 48, n. S27, p. 667, doi. 10.1002/qua.560480860
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- Publication type:
- Article
Efficient computation of electron-repulsion integrals in ab initio studies of polymeric systems.
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- International Journal of Quantum Chemistry, 1993, v. 48, n. S27, p. 793, doi. 10.1002/qua.560480871
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- Article
Determination of ab initio polarizabilities of polymers: Application to polyethylene and polysilane.
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- International Journal of Quantum Chemistry, 1992, v. 42, n. 4, p. 1009, doi. 10.1002/qua.560420434
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- Article
Application of the Green's function theory to the calculation of ionization potentials of model oligomeric systems.
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- International Journal of Quantum Chemistry, 1992, v. 41, n. 2, p. 243, doi. 10.1002/qua.560410202
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- Article
Ab initio calculations of all- trans octatetraene and eight isoelectronic conjugated chains: Semiempirical heats of formation and stabilization energies.
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- International Journal of Quantum Chemistry, 1992, v. 41, n. 2, p. 257, doi. 10.1002/qua.560410203
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- Article
Model calculations of polarizabilities of polyene chains: Oligomers and infinite polymers.
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- International Journal of Quantum Chemistry, 1990, v. 38, p. 859, doi. 10.1002/qua.560382484
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- Article
Orbital symmetry and orbital interactions in polymeric band structures: Examples of polyethylene and polysilane.
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- International Journal of Quantum Chemistry, 1990, v. 38, p. 65, doi. 10.1002/qua.560382410
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- Publication type:
- Article
Orbital symmetry and orbital interactions in polymeric band structures: Examples of polyethylene and polysilane.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, p. 65, doi. 10.1002/qua.560382410
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- Publication type:
- Article
Model calculations of polarizabilities of polyene chains: Oligomers and infinite polymers.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, p. 859, doi. 10.1002/qua.560382484
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- Publication type:
- Article
Integral algorithm and density matrix integration scheme for ab initio band structure calculations on polymeric systems.
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- Journal of Computational Chemistry, 2002, v. 23, n. 15, p. 1430, doi. 10.1002/jcc.10146
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- Publication type:
- Article
Absorption spectra of azobenzenes simulated with time-dependent density functional theory.
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- International Journal of Quantum Chemistry, 2011, v. 111, n. 15, p. 4224, doi. 10.1002/qua.22910
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- Article
An ab initio simulation of the UV/visible spectra of N-benzylideneaniline dyes.
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- International Journal of Quantum Chemistry, 2009, v. 109, n. 15, p. 3506, doi. 10.1002/qua.22303
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- Article
Assessment of PBE0 for evaluating the absorption spectra of carbonyl molecules.
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- International Journal of Quantum Chemistry, 2006, v. 106, n. 8, p. 1853, doi. 10.1002/qua.20982
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- Article
Density functional theory investigation of the alkylating strength of organoaluminum co-catalysts for Ziegler–Natta polymerization.
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- International Journal of Quantum Chemistry, 2006, v. 106, n. 3, p. 588, doi. 10.1002/qua.20796
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- Article
In memory of Carl Moser.
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- 2005
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- Obituary
NLO response of polymethineimine and polymethineimine/polyacetylene conformers: Assessment of electron correlation effects.
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- International Journal of Quantum Chemistry, 2005, v. 105, n. 6, p. 553, doi. 10.1002/qua.20649
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- Article
Linear, cyclic, and Möbius strip polyacenes: The influence of the topology on the size-dependent HOMO-LUMO energy gap.
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- International Journal of Quantum Chemistry, 2001, v. 84, n. 6, p. 607, doi. 10.1002/qua.1415
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- Article