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Approximate self-consistent molecular orbital theory of nuclear spin coupling. V. Proton-proton coupling constants in substituted benzenes

✍ Scribed by Maciel, Gary E.; McIver, J. W.; Ostlund, N. S.; Pople, J. A.

Book ID: 126419071
Publisher: American Chemical Society
Year: 1970
Tongue: English
Weight: 730 KB
Volume: 92
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja00718a002

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📜 SIMILAR VOLUMES

Approximate self-consistent molecular or

Approximate self-consistent molecular orbital theory of nuclear spin coupling. III. Geminal proton-proton coupling constants

✍ Maciel, Gary E.; McIver, J. W.; Ostlund, N. S.; Pople, J. A. 📂 Article 📅 1970 🏛 American Chemical Society 🌐 English ⚖ 772 KB

Approximate self-consistent molecular or

Approximate self-consistent molecular orbital theory of nuclear spin coupling. IV. Vicinal proton-proton coupling constants in substituted ethanes and ethylenes and related compounds

✍ Maciel, Gary E.; McIver, J. W.; Ostlund, N. S.; Pople, J. A. 📂 Article 📅 1970 🏛 American Chemical Society 🌐 English ⚖ 1021 KB

Approximate self-consistent molecular or

Approximate self-consistent molecular orbital theory of nuclear spin coupling. I. Directly bonded carbon-hydrogen coupling constants

✍ Maciel, G. E.; McIver, J. W.; Ostlund, N. S.; Pople, J. A. 📂 Article 📅 1970 🏛 American Chemical Society 🌐 English ⚖ 1017 KB

Self-consistent perturbation theory calc

Self-consistent perturbation theory calculations of nuclear spin coupling constants in thiophenes

✍ V. Galasso 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 198 KB

The rmg proton-proton couplmg constants of thlophene and 14 monosubstltuted derrvatwes have been calculated usmg the perturbed SCF INDO method The results reproduce satlsfactorlly signs, magmtudes and some trends of the experunental values, but the mternal order of long-range constants In the 3-subs

Approximate self-consistent molecular or

Approximate self-consistent molecular orbital theory of nuclear spin coupling. II. Fermi contact contributions to coupling between carbon and directly bonded atoms

✍ Maciel, G. E.; McIver, J. W.; Ostlund, N. S.; Pople, J. A. 📂 Article 📅 1970 🏛 American Chemical Society 🌐 English ⚖ 810 KB

Long-range proton–proton spin–spin coupl

Long-range proton–proton spin–spin coupling constants in some aryl-substituted methylenemalonaldehydes. Conformational dependence of meta- and ortho-benzylic couplings in styrenoic systems

✍ E. Kolehmainen; R. Laatikainen; V. Král 📂 Article 📅 1986 🏛 John Wiley and Sons 🌐 English ⚖ 618 KB

The 'H N M R spectra of some aryl-and heteroaryl-substituted methylenemalonaldehydes were measured and analysed. The long-range proton-proton spin-spin coupling constants were used to estimate the conformational behaviour of the aryl group relative to the vinyl and aldehyde groups. The compounds ser