共 50 条
- [21] The r0 structural parameters, vibrational spectra, ab initio calculations and barriers to internal rotation and linearity of methylisocyanateJOURNAL OF MOLECULAR STRUCTURE, 2009, 924 : 111 - 119Zhou, Sarah XiaohuaDurig, James R.
- [22] Conformational analysis, barriers to internal rotation, vibrational assignment, and ab initio calculations of 3-fluoro-1-buteneJOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (17): : 4216 - 4225Durig, JRHur, SWGounev, TKFeng, FGuirgis, GA
- [23] CONFORMATIONAL STABILITY, BARRIERS TO INTERNAL-ROTATION, AB-INITIO CALCULATIONS AND VIBRATIONAL ASSIGNMENT OF METHYL PROPARGYL ETHERJOURNAL OF MOLECULAR STRUCTURE, 1994, 320 : 193 - 216DURIG, JRTANG, QPHAN, HV
- [24] Infrared and Raman spectra, conformational stability, barriers to internal rotation, ab initio calculations and vibrational assignments for dichlorofluoroacetyl fluorideCHEMICAL PHYSICS, 1997, 223 (2-3) : 131 - 148Guirgis, GAJin, YPKlaeboe, PDurig, JR
- [25] Conformational analysis, barriers to internal rotation, ab initio calculations, and vibrational assignment of 4-fluoro-1-butyneJOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (02): : 363 - 373Guirgis, GAZhu, XDBell, SDurig, JR
- [26] Ab initio calculations on the isomers of N-hydroxythioureaJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1996, 362 (03): : 355 - 358LaManna, G
- [27] Ab initio calculations on the tautomers of N-salicylideneanilines.ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 223 : U221 - U221Hansen, JCHarmon, AShafer, E
- [28] Accounting for environmental effects in ab initio calculations of proton transfer barriersJOURNAL OF PHYSICAL CHEMISTRY A, 2000, 104 (35): : 8283 - 8289Lill, MAHutter, MCHelms, V
- [30] Collective rotation from ab initio theoryINTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS, 2015, 24 (09)Caprio, M. A.Maris, P.Vary, J. P.Smith, R.