共 27 条
- [25] Single-Ion Thermodynamics from First Principles: Calculation of the Absolute Hydration Free Energy and Single-Electrode Potential of Aqueous Li+ Using ab Initio Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2018, 14 (12) : 6443 - 6459
- [26] Non-crystalline oxides and chalcogenides:: A new paradigm based on ab initio quantum chemistry calculations for short range order and properties, and bond-constraint theory for network connectivity, network disruption and chemical phase separation JOURNAL OF OPTOELECTRONICS AND ADVANCED MATERIALS, 2005, 7 (04): : 1691 - 1706