화학공학소재연구정보센터

International Journal of Molecular Sciences

International Journal of Molecular Sciences, Vol.4, No.3 Entire volume, number list
ISSN: 1422-0067 (Print) 

In this Issue (7 articles)

62 - 63 Special issue on nuclear magnetic resonance spin-spin coupling constants - Calculations and measurements - Part I
Sauer SPA
64 - 92 Review on DFT and ab initio calculations of scalar coupling constants
Alkorta I, Elguero J
93 - 106 Solvent effects on nuclear magnetic resonance (2)J(C,H-f) and (1)J(C,H-f) spin-spin coupling constants in acetaldehyde
Zaccari D, Barone V, Peralta JE, Contreras RH, Taurian OE, Diez E, Esteban A
107 - 118 Experimental determination of pseudorotation potentials for disubstituted cyclopentanes based on spin-spin coupling constants
Zubkov SV, Chertkov VA
119 - 134 Solvent effects on the indirect spin-spin coupling constants of benzene: The DFT-PCM approach
Ruud K, Frediani L, Cammi R, Mennucci B
135 - 142 Gas-phase studies of spin-spin coupling constants
Jackowski K
143 - 157 The spin-spin coupling constants in ethane, methanol and methylamine: A comparison of DFT, MCSCF and CCSD results
Pecul M, Helgaker T