A contracted bromine basis set for use in calculation of molecular energies
- 1 December 1991
- journal article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 40 (6) , 781-787
- https://doi.org/10.1002/qua.560400607
Abstract
No abstract availableKeywords
This publication has 29 references indexed in Scilit:
- Compact contracted basis sets for third‐row atoms: Ga–KrJournal of Computational Chemistry, 1990
- Ab initio MRD-CI calculations of the ground state spectroscopic constants of HBrJournal of Molecular Structure: THEOCHEM, 1988
- Theoretical thermochemistry. 4. Ionization energies and proton affinities of AHn species (A = lithium to boron and sodium to aluminum): geometries and enthalpies of formation of their cationsThe Journal of Physical Chemistry, 1988
- Theoretical study of the bridging in β-halo ethylJournal of Molecular Structure: THEOCHEM, 1986
- Molecular orbital theory of the properties of inorganic and organometallic compounds 4. Extended basis sets for third‐and fourth‐row, main‐group elementsJournal of Computational Chemistry, 1986
- Theoretical thermochemistry. 1. Heats of formation of neutral AHn molecules (A = Li to Cl)The Journal of Physical Chemistry, 1985
- A systematic preparation of new contracted Gaussian‐type orbital sets. VIII. MINI‐1 and MIDI‐1 sets for Ga through CdJournal of Computational Chemistry, 1982
- Molecular orbital theory of the properties of inorganic and organometallic compounds. 1. STO-NG basis sets for third-row main-group elementsInorganic Chemistry, 1980
- General contraction of Gaussian atomic orbitals: Core, valence, polarization, and diffuse basis sets; Molecular integral evaluationThe Journal of Chemical Physics, 1973
- The influence of polarization functions on molecular orbital hydrogenation energiesTheoretical Chemistry Accounts, 1973