| 2001 |
|---|
| 4 | EE | Sor-Koon Goh,
Dennis S. Marynick:
Ability of fullerenes to act as 6 ligands in transition metal complexes. A comparative PM3(tm)-density functional theory study.
Journal of Computational Chemistry 22(16): 1881-1886 (2001) |
| 1998 |
|---|
| 3 | EE | Dennis S. Marynick:
Accurate molecular electrostatic potentials based on modified PRDDO/M wave functions: III. Extension of the PESP method for calculation of electrostatic potential-derived atomic charges to compounds containing Li+, Na+, Mg2+, K+, Ca2+, Zn2+, and I.
Journal of Computational Chemistry 19(13): 1456-1469 (1998) |
| 1997 |
|---|
| 2 | EE | Dennis S. Marynick:
Accurate molecular electrostatic potentials based on modified PRDDO/M wave functions: II. Electrostatic potentials inside the molecular van der Waals envelope.
Journal of Computational Chemistry 18(13): 1682-1693 (1997) |
| 1 | EE | Dennis S. Marynick:
Accurate molecular electrostatic potentials based on modified PRDDO/M wave functions. I. Electrostatic potential derived atomic charges.
Journal of Computational Chemistry 18(7): 955-969 (1997) |
