共 46 条
- [42] Bonding Properties and Oxidation States of Plutonium in Pu2On (n = 1-8) Molecules Studied by Using Screened Hybrid Density Functional Theory (vol 124, pg 2513, 2020) JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 124 (12): : 2513 - 2513
- [44] Are benzoylium and nitrilium ions produced from substituted 2-arene-2-oxazolines during mass spectrometry? A study based on density functional theory calculations, quantum theory of atoms in molecules, and electrospray ionization tandem mass spectrometry RAPID COMMUNICATIONS IN MASS SPECTROMETRY, 2023, 37 (04)
- [46] Improving the Accuracy in the Prediction of Transition-Metal Spin-State Energetics Using a Robust Variation-Based Approach: Density Functional Theory, CASPT2 and MC-PDFT Applied to the Case Study of Tris-Diimine Fe(II) Complexes JOURNAL OF PHYSICAL CHEMISTRY A, 2024, 128 (39): : 8404 - 8420