✦ LIBER ✦

Density Functional Theory Predictions of Isotropic Hyperfine Coupling Constants

✍ Scribed by Hermosilla, L.; Calle, P.; García de la Vega, J. M.; Sieiro, C.

Book ID: 121360321
Publisher: American Chemical Society
Year: 2005
Tongue: English
Weight: 152 KB
Volume: 109
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp0466901

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Density-functional-theory calculations o

Density-functional-theory calculations of isotropic hyperfine coupling constants of radicals

✍ Nobuhiko Ishii; Tatsuo Shimizu 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 394 KB

Isotropic hypefine coupling constants for the radicals BH2, CH? , NH2, OH:, BHr , CH,, NH:, H\*CN, HzCO+ and CH&H are calculated using density-functional theory with a gradient-corrected local-spin-density approximation and a Slater-type-orbital basis set. The agreement between the calculated and ob

Density functional theory calculations o

Density functional theory calculations of isotropic hyperfine coupling constants of atoms and monohydrides

✍ Nobuhiko Ishii; Tatsuo Shimizu 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 221 KB

Density functional calculations of isotr

Density functional calculations of isotropic hyperfine coupling constants of radical cations

✍ Eriksson, Leif A.; Malkin, Vladimir G.; Malkina, Olga L.; Salahub, Dennis R. 📂 Article 📅 1993 🏛 American Institute of Physics 🌐 English ⚖ 937 KB

Density Functional Calculations of Isotr

Density Functional Calculations of Isotropic Hyperfine Coupling Constants in .beta.-Ketoenolyl Radicals

✍ Adamo, Carlo; Barone, Vincenzo; Fortunelli, Alessandro 📂 Article 📅 1994 🏛 American Chemical Society 🌐 English ⚖ 565 KB

Efficient Calculation of Isotropic Hyper

Efficient Calculation of Isotropic Hyperfine Constants of Phosphorus Radicals Using Density Functional Theory

✍ Nguyen, Minh Tho; Creve, Steven; Vanquickenborne, Luc G. 📂 Article 📅 1997 🏛 American Chemical Society 🌐 English ⚖ 162 KB

Density Functional Calculations of Hyper

Density Functional Calculations of Hyperfine Coupling Constants in Alanine-Derived Radicals

✍ Lahorte, Philippe; De Proft, Frank; Vanhaelewyn, Gauthier; Masschaele, Bert; Cau 📂 Article 📅 1999 🏛 American Chemical Society 🌐 English ⚖ 131 KB