共 50 条
- [3] π Magnetism of Carbon Monovacancy in Graphene by Hybrid Density Functional Calculations JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 121 (15): : 8653 - 8661
- [4] Hammett constants from density functional calculations: charge transfer and perturbations Theoretical Chemistry Accounts, 2022, 141
- [6] Density Functional Study of Charge Transfer at the Graphene/lonic Liquid Interface JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 122 (27): : 15070 - 15077
- [9] The Charge Transfer Problem in Density Functional Theory Calculations of Aqueously Solvated Molecules JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 117 (40): : 12189 - 12201
- [10] Connection between charge transfer and alloying core-level shifts based on density-functional calculations PHYSICAL REVIEW B, 2000, 61 (08): : 5229 - 5236