共 50 条
- [21] FORMATION AND ISOMERIZATION MECHANISMS OF M(+)CO(2)(-) (M=LI, NA) ION-PAIR COMPLEXES - AN AB-INITIO MO AND RRKM STUDY JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1995, 342 : 1 - 7
- [22] Ab-initio Modeling of Interfacial Region in Nanocomposite Dielectrics 2015 IEEE ELECTRICAL INSULATION CONFERENCE (EIC), 2015, : 618 - 620
- [24] Ab-initio theory of photoionization via resonances JOURNAL OF CHEMICAL PHYSICS, 2019, 150 (20):
- [25] H-BONDING AND INTERACTION ENERGY OF ACETONITRILE NEUTRAL AND PYRIDINE ION-PAIR SURFACE COMPLEXES IN ZEOLITES OF VARIOUS ACIDITY - FTIR AND AB-INITIO STUDY JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (25): : 10285 - 10293
- [26] STRUCTURES AND ELECTRONIC STATES OF ION-PAIR COMPLEXES FORMED BETWEEN A CARBONYL COMPOUND AND A SODIUM ATOM - AN AB-INITIO MOLECULAR-ORBITAL AND MRSDCI STUDY JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1993, 89 (14): : 2369 - 2373
- [27] Ab initio study of spectroscopic and radiative characteristics of ion-pair states of the Cl2 molecule JOURNAL OF CHEMICAL PHYSICS, 2001, 115 (20): : 9298 - 9310
- [28] Understanding the Role of Intramolecular Ion-Pair Interactions in Conformational Stability Using an Ab Initio Thermodynamic Cycle JOURNAL OF PHYSICAL CHEMISTRY B, 2023, 127 (03): : 648 - 660
- [29] Ab initio potential energy curves of the valence, Rydberg, and ion-pair states of iodine monochloride, ICI JOURNAL OF CHEMICAL PHYSICS, 2014, 141 (10):
- [30] Understanding the Role of Intramolecular Ion-Pair Interactions in Conformational Stability Using an Ab Initio Thermodynamic Cycle JOURNAL OF PHYSICAL CHEMISTRY B, 2023,