共 50 条
- [1] Periodic ab initio study of silico-faujasiteCHEMICAL PHYSICS LETTERS, 1997, 277 (1-3) : 227 - 233ZicovichWilson, CMDovesi, R
- [2] Adsorption of the butene isomers in faujasite: A combined ab-initio theoretical and experimental studyJOURNAL OF PHYSICAL CHEMISTRY B, 2003, 107 (40): : 11065 - 11071Tielens, FDenayer, JFMDaems, IBaron, GVMortier, WJGeerlings, P
- [3] Ab initio study of periodic ice surfaces containing HClCHEMICAL PHYSICS LETTERS, 2000, 321 (1-2) : 1 - 7Casassa, S
- [4] Ab Initio Periodic Study of the Conformational Behavior of Glycine Helical HomopeptidesJOURNAL OF COMPUTATIONAL CHEMISTRY, 2010, 31 (08) : 1777 - 1784Ferrari, Anna MariaCivalleri, BartolomeoDovesi, Roberto
- [5] A periodic ab initio study of the structure and relative stability of silica polymorphsCHEMICAL PHYSICS LETTERS, 1998, 292 (4-6) : 394 - 402Civalleri, BZicovich-Wilson, CMUgliengo, PSaunders, VRDovesi, R
- [6] An ab initio periodic study of acidic chabazite as a candidate for dihydrogen storageJOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (21): : 10467 - 10474Torres, F. J.Civalleri, B.Pisani, C.Ugliengo, P.
- [7] Ab initio Molecular Dynamics Simulations of Lanthanide Coordination Structures in Water and in FaujasiteProQuest Dissertations and Theses Global, 2022,Shiery, Richard C.
- [8] Periodic ab initio calculations of orthoboric acidJOURNAL OF CHEMICAL PHYSICS, 2000, 113 (08): : 3338 - 3343Zapol, PCurtiss, LAErdemir, A
- [9] Chemisorption of HSi(OH)3 on silica surfaces: an ab initio periodic studyJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2003, 620 (2-3): : 291 - 300Baraille, ILoudet, ALacombe, SCardy, HPisani, C
- [10] Interaction of Ti-zeolites with water.: A periodic ab initio studyJOURNAL OF PHYSICAL CHEMISTRY B, 1999, 103 (06): : 988 - 994Zicovich-Wilson, CMDovesi, RCorma, A
