| 1 |
Orbitals Permit the Interpretation of Core-Level Spectroscopies in Terms of Chemistry
Bagus PS, Illas F
Catalysis Letters, 150(9), 2457, 2020 |
| 2 |
Assessment of a set of twelve density functionals to estimate the global reactivity of myricetin through the Koopmans' theorem
Sandoval-Yanez C, Martinez-Araya JI
Chemical Physics Letters, 715, 354, 2019 |
| 3 |
Long-Range Asymptotic-Behavior of Ground-State Wave-Functions, One-Matrices, and Pair Densities
Ernzerhof M, Burke K, Perdew JP
Journal of Chemical Physics, 105(7), 2798, 1996 |
| 4 |
Low-Lying Ionization-Potentials of O-3 and NO2 Using the Multiconfigurational Spin Tensor Electron Propagator Method
Mckellar AJ, Yeager DL, Nichols JA, Golab JT
Journal of Chemical Physics, 105(22), 9927, 1996 |
| 5 |
Radical-Cation of 1,3-Butadiene - Resonance Raman-Spectrum of the H(6) Isotopomer
Keszthelyi T, Wilbrandt R, Bally T
Journal of Physical Chemistry, 100(42), 16843, 1996 |
| 6 |
Ab-Initio Vertical Ionization-Potentials of Trans-Butadiene and Cyclobutadiene Using the Effective Valence Shell Hamiltonian Method
Martin CH, Graham RL, Freed KF
Journal of Physical Chemistry, 98(13), 3467, 1994 |
