Semiempirical calculations of molecular vibrational frequencies: The MNDO method
- 1 January 1978
- journal article
- Published by Elsevier in Journal of Molecular Structure
- Vol. 43 (1) , 135-138
- https://doi.org/10.1016/0022-2860(78)85037-6
Abstract
No abstract availableThis publication has 24 references indexed in Scilit:
- Ground states of molecules. 41. MNDO results for molecules containing boronJournal of the American Chemical Society, 1977
- Ground states of molecules. 37. MINDO/3 calculations of molecular vibration frequenciesJournal of the American Chemical Society, 1977
- Structure of transition states. 4. MINDO/2 study of rearrangements in the C6H10 systemJournal of the American Chemical Society, 1976
- Ground states of molecules. XXIX. MINDO/3 calculations of compounds containing third row elementsJournal of the American Chemical Society, 1975
- Ground states of molecules. XXVII. MINDO/3 calculations for carbon, hydrogen, oxygen, and nitrogen speciesJournal of the American Chemical Society, 1975
- Ground states of molecules. XXVIII. MINDO/3 calculations for compounds containing carbon, hydrogen, fluorine, and chlorineJournal of the American Chemical Society, 1975
- Ground states of molecules. XXV. MINDO/3. Improved version of the MINDO semiempirical SCF-MO methodJournal of the American Chemical Society, 1975
- Structure of transition states. III. MINDO/2 study of the cyclization of 1,3,5-hexatriene to 1,3-cyclohexadieneJournal of the American Chemical Society, 1974
- Structure of transition states. Are they symmetricAccounts of Chemical Research, 1974
- Structure of transition states in organic reactions. General theory and an application to the cyclobutene-butadiene isomerization using a semiempirical molecular orbital methodJournal of the American Chemical Society, 1972