✦ LIBER ✦

Energy decomposition in the topological theory of atoms in molecules and in the linear combination of atomic orbitals formalism: a note

✍ Scribed by I. Mayer; A. Hamza

Publisher: Springer
Year: 2001
Tongue: English
Weight: 97 KB
Volume: 105
Category: Article
ISSN: 1432-2234
DOI: 10.1007/s002140000230

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Diatomic interaction energies in the top

Diatomic interaction energies in the topological theory of atoms in molecules

✍ Anibal Sierraalta; Gernot Frenking 📂 Article 📅 1997 🏛 Springer 🌐 English ⚖ 735 KB

The Quantum Theory of Atoms in Molecules

The Quantum Theory of Atoms in Molecules || Topological AtomâAtom Partitioning of Molecular Exchange Energy and its Multipolar Convergence

✍ Matta, ChÃ©rif F.; Boyd, Russell J. 📂 Article 📅 2007 🏛 Wiley-VCH Verlag GmbH & Co. KGaA ⚖ 201 KB 👁 1 views

Distributed polarizabilities using the t

Distributed polarizabilities using the topological theory of atoms in molecules

✍ János G. Ángyán; Georg Jansen; Michel Loss; Christof Hättig; Bernd A. Heß 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 599 KB

Distributed atom-atom multipolar polarizabilities have been calculated at the coupled perturbed Hartree-Fock (CPHF) level, using Bader's topological theory to partition the molecular charge density into atomic domains. The proposed scheme applies without difficulty to molecules of arbitrary shape an

The Quantum Theory of Atoms in Molecules

The Quantum Theory of Atoms in Molecules || Topology and Properties of the Electron Density in Solids

Determination of the order of atoms in a

Determination of the order of atoms in a linear molecule

✍ E.Bright Wilson Jr. 📂 Article 📅 1958 🏛 Elsevier Science ⚖ 235 KB

The Quantum Theory of Atoms in Molecules

The Quantum Theory of Atoms in Molecules || Topological Properties of the Electron Distribution in Hydrogen-bonded Systems