✦ LIBER ✦

Fully relativistic calculation of nuclear magnetic shieldings and indirect nuclear spin-spin couplings in group-15 and -16 hydrides

✍ Scribed by Gomez, Sergio S.; Romero, Rodolfo H.; Aucar, Gustavo A.

Book ID: 120360302
Publisher: American Institute of Physics
Year: 2002
Tongue: English
Weight: 350 KB
Volume: 117
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.1510731

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Density-Functional and Coupled-Cluster S

Density-Functional and Coupled-Cluster Singles-and-Doubles Calculations of the Nuclear Shielding and Indirect Nuclear Spin−Spin Coupling Constants of o -Benzyne

✍ Helgaker, Trygve; Jaszuński, Michał 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 60 KB

Full four-component relativistic calcula

Full four-component relativistic calculations of NMR shielding and indirect spin-spin coupling tensors in hydrogen halides

✍ Visscher, Lucas; Enevoldsen, Thomas; Saue, Trond; Jensen, Hans J�rgen Aagard; Od 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 230 KB 👁 2 views

Various methods for the inclusion of relativistic effects in the calculation of NMR parameters are discussed. Benchmark values for the NMR shieldings and indirect nuclear spin᎐spin coupling tensors for the hydrogen halides are calculated using the four-component relativistic random phase approximati

Interpretation of Indirect Nuclear Spin−

Interpretation of Indirect Nuclear Spin−Spin Coupling Tensors for Polyatomic Xenon Fluorides and Group 17 Fluorides: Results from Relativistic Density-Functional Calculations

✍ Bryce, David L.; Wasylishen, Roderick E. 📂 Article 📅 2002 🏛 American Chemical Society 🌐 English ⚖ 213 KB

15N, 13C and 1H nuclear magnetic shieldi

15N, 13C and 1H nuclear magnetic shielding and spin–spin coupling in gaseous 15N-enriched methylamine

✍ Edyta Wielogórska; Włodzimierz Makulski; Wiktor Koźmiński; Karol Jackowski 📂 Article 📅 2004 🏛 Elsevier Science 🌐 English ⚖ 113 KB

Analytical calculation of nuclear magnet

Analytical calculation of nuclear magnetic resonance indirect spin–spin coupling constants at the generalized gradient approximation and hybrid levels of density-functional theory

✍ Helgaker, Trygve; Watson, Mark; Handy, Nicholas C. 📂 Article 📅 2000 🏛 American Institute of Physics 🌐 English ⚖ 394 KB

Indirect Nuclear Spin−Spin Coupling Tens

Indirect Nuclear Spin−Spin Coupling Tensors in Diatomic Molecules: A Comparison of Results Obtained by Experiment and First Principles Calculations

✍ Bryce, David L.; Wasylishen, Roderick E. 📂 Article 📅 2000 🏛 American Chemical Society 🌐 English ⚖ 116 KB