共 50 条
- [42] Ab initio molecular dynamic simulations on proton transfer reactions at sulfonic acid groups of Nafion® ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009, 238
- [43] AB-INITIO STUDY OF PROTON-TRANSFER SURFACES IN ZEOLITE MODELS JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (35): : 9034 - 9039
- [44] INTRAMOLECULAR W-TRANSFER REACTIONS IN PLANAR CYCLIC SI3H2 - AN AB-INITIO STUDY THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 1995, 334 (2-3): : 121 - 126
- [48] Catalysis effect of micro-hydration on the intramolecular proton transfer in cytosine Chem. Phys. Lett., (1-7): : 1 - 7
- [49] Intramolecular proton transfer in 2-(2′-hydroxyphenyl)benzoxazole:: the reliability of ab initio calculations on simplified structures JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1999, 489 (2-3): : 255 - 262
- [50] Ab initio molecular dynamics of excited-state intramolecular proton transfer using multireference perturbation theory JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111 (44): : 11302 - 11310