共 50 条
- [21] Investigation of hydrogen transfer reactions with the multiconfigurational nuclear-electronic orbital method. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2003, 226 : U300 - U300
- [22] Nuclear-Electronic Orbital Method within the Fragment Molecular Orbital Approach JOURNAL OF PHYSICAL CHEMISTRY C, 2010, 114 (12): : 5582 - 5588
- [23] Solvent Induced Proton Polarization within the Nuclear-Electronic Orbital Framework JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2023, 14 (12): : 2990 - 2995
- [24] Analysis of electron-positron wavefunctions in the nuclear-electronic orbital framework JOURNAL OF CHEMICAL PHYSICS, 2012, 136 (16):
- [25] Modeling positrons in molecular electronic structure calculations with the nuclear-electronic orbital method JOURNAL OF PHYSICAL CHEMISTRY A, 2008, 112 (06): : 1346 - 1351
- [26] Excited State Intramolecular Proton Transfer with Nuclear-Electronic Orbital Ehrenfest Dynamics JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2021, 12 (14): : 3497 - 3502
- [27] Triple electron-electron-proton excitations and second-order approximations in nuclear-electronic orbital coupled cluster methods JOURNAL OF CHEMICAL PHYSICS, 2022, 157 (07):
- [28] Nuclear-Electronic Orbital Time-Dependent Configuration Interaction Method JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2024, 15 (23): : 6017 - 6023
- [30] Incorporation of nuclear quantum effects in electronic structure calculations: Multiconfigurational nuclear-electronic orbital method. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2003, 225 : U449 - U449