검색결과 : 3건
| No. | Article |
|---|---|
| 1 |
Comparison of the Becke-Lee-Yang-Parr and Becke-Perdew-Wang Exchange-Correlation Functionals for Geometrics of Cyclopentadienyl Transition-Metal Complexes Mccullough EA, Apra E, Nichols J Journal of Physical Chemistry A, 101(13), 2502, 1997 |
| 2 |
The Dipole-Moment and Magnetic Hyperfine Properties of the Excited A(2)Sigma(+)(3S-Sigma) Rydberg State of Nitric-Oxide Glendening ED, Feller D, Peterson KA, Mccullough EA, Miller RJ Journal of Chemical Physics, 103(9), 3517, 1995 |
| 3 |
Models for the Molybdenum(VI/V) Centers of the Molybdenum Hydroxylases and Related Enzymes - Geometry, Electronic-Structure, and EPR G-Tensor Predictions from Ab-Initio and Semiempirical Molecular-Orbital Studies Peng G, Nichols J, Mccullough EA, Spence JT Inorganic Chemistry, 33(13), 2857, 1994 |