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- [1] Bridging the gap between ab initio and classical simulations ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 244
- [3] On bridging the gap between ab initio phase diagram calculations and empirical thermodynamic assessments JAPAN INSTITUTE OF METALS, PROCEEDINGS, VOL 12, (JIMIC-3), PTS 1 AND 2: SOLID - SOLID PHASE TRANSFORMATIONS, 1999, : 1665 - 1667
- [5] Ab initio and classical simulations modeling of uranyl peroxide nanoclusters ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 246
- [7] Comparison of classical and ab initio simulations of hydronium and aqueous proton transfer JOURNAL OF CHEMICAL PHYSICS, 2023, 159 (13):