References
- Karplus , M . 1959 . J. Chem. Phys. , 30 : 11
- Karplus , M . 1963 . J. Am. Chem. Soc. , 85 : 2870
- Díez , E , San Fabián , J , Guilleme , J , Altona , C and Donders , LA . 1989 . Mol. Phys. , 68 : 49
- Altona , C , Ippel , JH , Hoekzema , AJAW , Erkelens , C , Groesbeek , M and Donders , LA . 1989 . Magn. Reson. Chem. , 27 : 564
- Guilleme , J , San Fabián , J , Díez , E , Bermejo , F and Esteban , AL . 1989 . Mol. Phys. , 68 : 65
- San Fabián , J , Guilleme , J , Díez , E , Lazzeretti , P , Malagoli , M , Zanasi , R , Esteban , AL and Mora , F . 1994 . Mol. Phys. , 82 : 913
- Guilleme , J , San Fabián , J and Díez , E . 1997 . Mol. Phys. , 91 : 343
- Schug , JC , McMahon , PE and Gutowsky , HS . 1960 . J. Chem. Phys. , 33 : 843
- Díez , E , Guilleme , J , Fabián , JSan , Gómez , MM and Esteban , AL . 1989 . Proceedings of the XXIII Congress Ampere on Magnetic Resonance 434 – 435 .
- Gil , VMS , Varandas , AJC and Murrel , JN . 1983 . Can. J. Chem. , 61 : 163
- Gil , VMS and Varandas , AJC . 1981 . J. Magn. Reson. , 43 : 28
- Esteban , AL , Galache , MP and Díez , E . 2008 . Abstracts of the XXI Reunión Nacional de Espectroscopia
- Haasnoot , CAG , de Leeuw , FAAM and Altona , C . 1980 . Tetrahedron , 36 : 2783
- Altona , C . 1996 . Encyclopedia of NMR , Edited by: Grant , DM and Harris , RK . 4909 – 4923 . New York : Wiley .
- Navarro-Vázquez , A , Cobas , JC , Sardina , FJ , Casanueva , J and Díez , E . 2004 . J. Chem. Inf. Comput. Sci. , 44 : 1680
- Díez , E , Casanueva , J , San Fabián , J , Esteban , AL , Galache , MP , Barone , V , Peralta , JE and Contreras , RH . 2005 . Mol. Phys. , 103 : 1307
- Wigglesworth , RD , Raynes , WT , Sauer , SPA and Oddershede , J . 1998 . Mol. Phys. , 94 : 851
- Ruden , TA , Helgaker , T and Jaszuński , M . 2004 . Chem. Phys. , 296 : 53
- Ruden , TA and Ruud , K . 2004 . Calculation of NMR and EPR Parameters , Edited by: Kaupp , M , Bühl , M and Malkin , VG . 153 – 173 . Weinheim : Wiley–VCH .
- Ruden , TA , Lutnæs , OB , Helgaker , T and Ruud , K . 2003 . J. Chem. Phys. , 118 : 9572
- Ruden , TA , Taylor , PR and Helgaker , T . 2003 . J. Chem. Phys. , 119 : 1951
- Lounila , J , Wasser , R and Diehl , P . 1987 . Mol. Phys. , 62 : 19
- Raynes , WT , Geertsen , J and Oddershede , J . 1994 . Int. J. Quant. Chem. , 52 : 153
- Toyama , M , Oka , T and Morino , Y . 1964 . J. Molec. Spectrosc. , 13 : 193
- Frisch , MJ , Trucks , GW , Schlegel , HB , Scuseria , GE , Robb , MA , Cheeseman , JR , Jr , JAMontgomery , Vreven , T , Kudin , KN , Burant , JC , Millam , JM , Iyengar , SS , Tomasi , J , Barone , V , Mennucci , B , Cossi , M , Scalmani , G , Rega , N , Petersson , GA , Nakatsuji , H , Hada , M , Ehara , M , Toyota , K , Fukuda , R , Hasegawa , J , Ishida , M , Nakajima , T , Honda , Y , Kitao , O , Nakai , H , Klene , M , Li , X , Knox , JE , Hratchian , HP , Cross , JB , Bakken , V , Adamo , C , Jaramillo , J , Gomperts , R , Stratmann , RE , Yazyev , O , Austin , AJ , Cammi , R , Pomelli , C , Ochterski , JW , Ayala , PY , Morokuma , K , Voth , GA , Salvador , P , Dannenberg , JJ , Zakrzewski , VG , Dapprich , S , Daniels , AD , Strain , MC , Farkas , O , Malick , DK , Rabuck , AD , Raghavachari , K , Foresman , JB , Ortiz , JV , Cui , Q , Baboul , AG , Clifford , S , Cioslowski , J , Stefanov , BB , Liu , G , Liashenko , A , Piskorz , P , Komaromi , I , Martin , RL , Fox , DJ , Keith , T , Al-Laham , MA , Peng , CY , Nanayakkara , A , Challacombe , M , Gill , PMW , Johnson , B , Chen , W , Wong , MW , Gonzalez , C and Pople , JA . 2004 . Gaussian 03, Revision D.02 , Wallingford, CT : Gaussian Inc. .
- Becke , AD . 1988 . Phys. Rev. A , 38 : 3098
- Lee , C , Yang , W and Parr , RG . 1988 . Phys. Rev. B , 37 : 785
- Becke , AD . 1993 . J. Chem. Phys. , 98 : 5648
- Carbonniere , P , Lucca , T , Pouchan , C , Rega , N and Barone , V . 2005 . J. Comput. Chem. , 26 : 384
- Guilleme , J , Fabián , JSan , Díez , E , Esteban , AL and Galache , MP . 1987 . Abstracts of the XVII Congreso de Químicos Teóricos de Expresión Latina 708
- Esteban , AL and Díez , E . 1980 . Can. J. Chem. , 58 : 2340
- Abraham , RJ and Pachler , KGR . 1964 . Mol. Phys. , 7 : 165
- Dailey , BP and Shoolery , JN . 1956 . J. Am. Chem. Soc. , 77 : 3977
- Höfner , D , Lesko , SA and Binsch , G . 1978 . Org. Magn. Reson. , 11 : 179
- Marshall , JL , Walter , SR , Barfield , M , Marchand , AP , Marchand , NW and Segre , AL . 1976 . Tetrahedron , 32 : 537
- Abraham , RJ and Fisher , J . 1985 . Magn. Reson. Chem. , 23 : 856
- Marshall , JL and Walter , SR . 1974 . J. Am. Chem. Soc. , 96 : 6358
- Watts , VS and Goldstein , JH . 1967 . J. Chem. Phys. , 46 : 4165
- Crecely , KM , Watts , VS and Goldstein , JH . 1969 . J. Mol. Spectrosc. , 30 : 184
- Scherr , PA and Oliver , JP . 1969 . J. Mol. Spectrosc. , 31 : 109
- Mortimer , FS . 1961 . J. Mol. Spectrosc. , 5 : 199
- Walling , Ch and Fredricks , PS . 1962 . J. Am. Chem. Soc. , 84 : 3326
- Goldwhite , H , Rowsell , D , Vertal , LE , Bowers , MT , Cooper , MA and Manatt , SL . 1983 . Org. Magn. Reson. , 21 : 494
- Ohtsuru , M , Toti , K and Fukuyama , M . 1970 . Tetrahedron Lett. , 11 : 2877
- Kirpekar , S , Enevoldsen , T , Oddershede , J and Raynes , WT . 1997 . Mol. Phys. , 91 : 897
- Champagne , B and Mosley , DH . 1996 . J. Chem. Phys. , 105 : 3592
- Quinet , O , Champagne , B and van Gisbergen , SJA . 2006 . Int. J. Quant. Chem. , 106 : 599