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

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

Book ID: 126081771
Publisher: American Chemical Society
Year: 1970
Tongue: English
Weight: 772 KB
Volume: 92
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja00717a001

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📜 SIMILAR VOLUMES

Approximate self-consistent molecular or

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

✍ Maciel, Gary E.; McIver, J. W.; Ostlund, N. S.; Pople, J. A. 📂 Article 📅 1970 🏛 American Chemical Society 🌐 English ⚖ 730 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. II.

Self-Consistent Perturbation Theory. II. Nuclear-Spin Coupling Constants

✍ Pople, J. A. 📂 Article 📅 1968 🏛 American Institute of Physics 🌐 English ⚖ 733 KB

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

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