James J. P. Stewart
- Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
1985/06/01 by Michael J. S. Dewar, Eve G. Zoebisch, Eamonn F. Healy +1 · 19 citations
Chemistry · Physics and Astronomy · #Various Chemistry Research Topics #Molecular spectroscopy and chirality #Spectroscopy and Quantum Chemical Studies
- MOPAC: A semiempirical molecular orbital program
1990/03/01 by James J. P. Stewart · 15 citations
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Thermodynamics and Molecular Structure #Crystallography and molecular interactions
- Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters
2012/11/28 by James J. P. Stewart · 5 citations
- Location of transition states in reaction mechanisms
1984/01/01 by Michael J. S. Dewar, Eamonn F. Healy, James J. P. Stewart · 1 citation
Chemistry · Engineering · #Molecular Junctions and Nanostructures #Molecular spectroscopy and chirality #Various Chemistry Research Topics