검색결과 : 35건
| No. | Article |
|---|---|
| 1 |
Why is Si2H2 Not Linear? An Intrinsic Quasi-Atomic Bonding Analysis Guidez EB, Gordon MS, Ruedenberg K Journal of the American Chemical Society, 142(32), 13729, 2020 |
| 2 |
Quasi-Atomic Bond Analyses in the Sixth Period: I. Relativistic Accurate Atomic Minimal Basis Sets for the Elements Cesium to Radon Schoendorff G, West AC, Schmidt MW, Ruedenberg K, Gordon MS Journal of Physical Chemistry A, 123(25), 5242, 2019 |
| 3 |
Quasi-Atomic Bond Analyses in the Sixth Period: II. Bond Analyses of Cerium Oxides Schoendorff G, Schmidt MW, Ruedenberg K, Gordon MS Journal of Physical Chemistry A, 123(25), 5249, 2019 |
| 4 |
Quasi-Atomic Bonding Analysis of Xe-Containing Compounds Heredia JJD, Ruedenberg K, Gordon MS Journal of Physical Chemistry A, 122(13), 3442, 2018 |
| 5 |
The Virial Theorem and Covalent Bonding Bacskay GB, Nordholm S, Ruedenberg K Journal of Physical Chemistry A, 122(39), 7880, 2018 |
| 6 |
Correlation Energy Extrapolation by Many-Body Expansion Boschen JS, Theis D, Ruedenberg K, Windus TL Journal of Physical Chemistry A, 121(4), 836, 2017 |
| 7 |
Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions West AC, Schmidt MW, Gordon MS, Ruedenberg K Journal of Physical Chemistry A, 121(5), 1086, 2017 |
| 8 |
Relativistic ab Initio Accurate Atomic Minimal Basis Sets: Quantitative LUMOs and Oriented Quasi-Atomic Orbitals for the Elements Li-Xe Schoendorff G, West AC, Schmidt MW, Ruedenberg K, Wilson AK, Gordon MS Journal of Physical Chemistry A, 121(18), 3588, 2017 |
| 9 |
Dispersion Interactions in QM/EFP Slipchenko LV, Gordon MS, Ruedenberg K Journal of Physical Chemistry A, 121(49), 9495, 2017 |
| 10 |
Identification and Characterization of Molecular Bonding Structures by ab initio Quasi-Atomic Orbital Analyses West AC, Duchimaza-Heredia JJ, Gordon MS, Ruedenberg K Journal of Physical Chemistry A, 121(46), 8884, 2017 |