共 50 条
- [41] Ab initio study of the X-+RCOY displacement reactions with R = H, CH3 and X, Y = Cl, BrJOURNAL OF PHYSICAL CHEMISTRY A, 2000, 104 (17): : 4069 - 4076Kim, CKLi, HGLee, HWSohn, CKChun, YILee, I
- [42] An ab initio study of the electronic structure and relative stability of the halogenated thiophosphorus compounds SPX (X = Cl, F, Br) and their isomersJOURNAL OF MOLECULAR STRUCTURE, 1997, 437 : 419 - 425Nowek, ARichardson, RBabinec, PLeszczynski, J
- [43] AB-INITIO STUDY OF THE REACTION OF H+ICNJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1995, 342 : 193 - 196YE, SDAI, SS
- [44] A computational study of H-Be-X (X = F, Cl, Br) moleculesJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2002, 593 : 33 - 37McDowell, SAC
- [45] Theoretical ab Initio Study of the Series of N2X+ Cations with X = F, Cl, Br, and I. New Insights on the "Unusual" N2F+ SpeciesJOURNAL OF PHYSICAL CHEMISTRY A, 2016, 120 (48): : 9660 - 9666Papakondylis, Aristotle
- [46] EXPERIMENTAL AND THEORETICAL VIBRATIONAL STUDIES OF COVALENT X-N-3 AZIDES (X=H, F, CL, BR, I) - APPLICATION OF THE DENSITY-FUNCTIONAL THEORY AND COMPARISON WITH AB-INITIO RESULTSINORGANIC CHEMISTRY, 1995, 34 (17) : 4343 - 4346SCHULZ, ATORNIEPORTHOETTING, ICKLAPOTKE, TM
- [47] AB-initio study of electronic, elastic, and optical properties of double antiperovskite, Li6AgBiX2 (X = Cl, Br, I)CHEMICAL PHYSICS LETTERS, 2025, 864Asghar, BismaSaeed, M. UsmanSajid, LaraibPervaiz, ShamialaKhan, SehrishAli, ZeeshanKhan, AamirUllah, ZafarElansary, Hosam O.Saeed, Y.
- [48] Exploring properties of potassium 6-X-2-isonicotinoyltrifluoroborate (X=H, F, Cl, Br) salts and their anions by using ab initio calculationsJOURNAL OF MOLECULAR MODELING, 2019, 25 (12)Iramain, Maximiliano A.Brandan, Silvia Antonia
- [49] Exploring properties of potassium 6-X-2-isonicotinoyltrifluoroborate (X=H, F, Cl, Br) salts and their anions by using ab initio calculationsJournal of Molecular Modeling, 2019, 25Maximiliano A. IramainSilvia Antonia Brandán
- [50] Ab initio calculations of the stabilization energies of the conformational and the structural isomers of C3H7X where X = F, Cl, and BrJOURNAL OF COMPUTATIONAL CHEMISTRY, 2002, 23 (10) : 966 - 976Helal, MRYousef, YAAfaneh, AT