✦ LIBER ✦

Hyperspherical Harmonic Expansions of Potential 1/rjt of Molecular Systems

✍ Scribed by Ai-Ling Wu; Cheng-Bu Liu; Xian Zhao; Xiu-Fang Bian

Publisher: John Wiley and Sons
Year: 2010
Tongue: English
Weight: 184 KB
Volume: 20
Category: Article
ISSN: 0256-7660
DOI: 10.1002/cjoc.20020201009

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Expansion of potential 1/r12 of c-spheri

Expansion of potential 1/r12 of c-spherical harmonics

✍ Wu Ai-Ling; Deng Cong-Hao; Deng Lu 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 143 KB

Fast convergent hyperspherical harmonic

Fast convergent hyperspherical harmonic expansion for three-body systems: M. I. Haftel. Code 4651, Naval Research Laboratory, Washington, DC 20375; and V. B. Mandelzweig. Department of Physics and Astronomy, University of Maryland, College Park, Maryland 20742, and Racah Institute of Physics, Hebrew University, Jerusalem 91904, Israel

📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 65 KB

Density functional investigation of the

Density functional investigation of the molecular geometries, harmonic vibrational frequencies, singlet-triplet energy separations, adiabatic ionization potentials, and electron affinities of XY2 (X = Si, Ge, Sn; Y = F, Cl) systems

✍ Emilia Sicilia; Marirosa Toscano; Tzonka Mineva; Nino Russo 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 147 KB 👁 2 views

The geometrical and spectroscopic parameters of SiF , SiCl , GeF , GeCl , SnF , and SnCl were determined using the linear combination of Gaussian-type orbitals᎐local spin 2 Ž . Ž . density LCGTO᎐LSD method and employing both the local LSD and nonlocal Ž . functionals NLSD for the exchange᎐correlati

ChemInform Abstract: X=Y—ZH Systems as P

ChemInform Abstract: X=Y—ZH Systems as Potential 1,3-Dipoles. Part 51. Halogen-Induced Inter- and Intra-Molecular Formation of Nitrones from Oximes and Alkenes.

✍ H. Ali Dondas; Ronald Grigg; Maria Hadjisoteriou; Jasothara Markandu; Peter Kenn 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 33 KB 👁 1 views