검색결과 : 261건
| No. | Article |
|---|---|
| 1 |
Many-Body Dispersion Xu P, Alkan M, Gordon MS Chemical Reviews, 120(22), 12343, 2020 |
| 2 |
Editorial: Modern Architectures and Their Impact on Electronic Structure Theory Gordon MS, Windus TL Chemical Reviews, 120(17), 9015, 2020 |
| 3 |
Novel Computer Architectures and Quantum Chemistry Gordon MS, Barca G, Leang SS, Poole D, Rendell AP, Vallejo JLG, Westheimer B Journal of Physical Chemistry A, 124(23), 4557, 2020 |
| 4 |
Stability and Dissociation of Ethylenedione (OCCO) Mato J, Poole D, Gordon MS Journal of Physical Chemistry A, 124(40), 8209, 2020 |
| 5 |
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 |
| 6 |
Analytic Gradients for the Spin-Flip ORMAS-CI Method: Optimizing Minima, Saddle Points, and Conical Intersections Mato J, Gordon MS Journal of Physical Chemistry A, 123(6), 1260, 2019 |
| 7 |
Spin-Orbit Coupling Constants in Atoms and Ions of Transition Elements: Comparison of Effective Core Potentials, Model Core Potentials, and All-Electron Methods Koseki S, Matsunaga N, Asada T, Schmidt MW, Gordon MS Journal of Physical Chemistry A, 123(12), 2325, 2019 |
| 8 |
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 |
| 9 |
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 |
| 10 |
Many-Body Dispersion in Molecular Clusters Alkan M, Xu P, Gordon MS Journal of Physical Chemistry A, 123(39), 8406, 2019 |