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Ruiz, Eliseo, Cano, Joan, Alvarez, Santiago, Alemany, Pere (1999) Broken symmetry approach to calculation of exchange coupling constants for homobinuclear and heterobinuclear transition metal complexes. Journal of Computational Chemistry, 20 (13). 1391-1400 doi:10.1002/(sici)1096-987x(199910)20:13<1391::aid-jcc6>3.0.co;2-j

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Reference TypeJournal (article/letter/editorial)
TitleBroken symmetry approach to calculation of exchange coupling constants for homobinuclear and heterobinuclear transition metal complexes
JournalJournal of Computational Chemistry
AuthorsRuiz, EliseoAuthor
Cano, JoanAuthor
Alvarez, SantiagoAuthor
Alemany, PereAuthor
Year1999 (October)Volume20
Issue13
PublisherWiley
DOIdoi:10.1002/(sici)1096-987x(199910)20:13<1391::aid-jcc6>3.0.co;2-jSearch in ResearchGate
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Mindat Ref. ID3147174Long-form Identifiermindat:1:5:3147174:7
GUID0
Full ReferenceRuiz, Eliseo, Cano, Joan, Alvarez, Santiago, Alemany, Pere (1999) Broken symmetry approach to calculation of exchange coupling constants for homobinuclear and heterobinuclear transition metal complexes. Journal of Computational Chemistry, 20 (13). 1391-1400 doi:10.1002/(sici)1096-987x(199910)20:13<1391::aid-jcc6>3.0.co;2-j
Plain TextRuiz, Eliseo, Cano, Joan, Alvarez, Santiago, Alemany, Pere (1999) Broken symmetry approach to calculation of exchange coupling constants for homobinuclear and heterobinuclear transition metal complexes. Journal of Computational Chemistry, 20 (13). 1391-1400 doi:10.1002/(sici)1096-987x(199910)20:133.0.co;2-j
In(1999, October) Journal of Computational Chemistry Vol. 20 (13) Wiley

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Ruiz, Eliseo, Rodríguez-Fortea, Antonio, Cano, Joan, Alvarez, Santiago, Alemany, Pere (2003) About the calculation of exchange coupling constants in polynuclear transition metal complexes. Journal of Computational Chemistry, 24 (8). 982-989 doi:10.1002/jcc.10257
Ferrer, Santiago Melchor, Molina, Jose Molina (1999) Theoretical calculations on C30H12 bowl-shaped hydrocarbons: NMR shielding constants, stability, and aromaticity. Journal of Computational Chemistry, 20 (13). 1412-1421 doi:10.1002/(sici)1096-987x(199910)20:13<1412::aid-jcc8>3.0.co;2-f
Cano, Joan, Rodríguez-Fortea, Antonio, Alemany, Pere, Alvarez, Santiago, Ruiz, Eliseo (2000) Asymmetry and Magnetism in Bis(oximato)-Bridged Heterobimetallic Compounds: A Computational Approach. Chemistry - A European Journal, 6 (2). 327-333 doi:10.1002/(sici)1521-3765(20000117)6:2<327::aid-chem327>3.0.co;2-q
Cano, Joan, Alemany, Pere, Alvarez, Santiago, Verdaguer, Michel, Ruiz, Eliseo (1998) Exchange Coupling in Oxalato-Bridged Copper(II) Binuclear Compounds: A Density Functional Study. Chemistry - A European Journal, 4 (3). 476-484 doi:10.1002/(sici)1521-3765(19980310)4:3<476::aid-chem476>3.0.co;2-8
Ruiz, Eliseo, Cano, Joan, Alvarez, Santiago, Alemany, Pere (1998) Magnetic Coupling in End-On Azido-Bridged Transition Metal Complexes:  A Density Functional Study. Journal Of The American Chemical Society, 120 (43) 11122-11129 doi:10.1021/ja981661n
Gra�a, Ana M., Mosquera, Ricardo A. (1999) Atomic and bond properties in functionalized esters and amides. Journal of Computational Chemistry, 20 (13). 1444-1454 doi:10.1002/(sici)1096-987x(199910)20:13<1444::aid-jcc11>3.0.co;2-g
Lewin, Anita H., Sorensen, Jennifer B., Dustman, John A., Bowen, J. Phillip (1999) Computational methods for conformational analysis of unsymmetrical 1,3-diamines: 3-aminotropanes. Journal of Computational Chemistry, 20 (13). 1371-1378 doi:10.1002/(sici)1096-987x(199910)20:13<1371::aid-jcc4>3.0.co;2-r
Klepeis, J. L., Floudas, C. A., Morikis, D., Lambris, J. D. (1999) Predicting peptide structures using NMR data and deterministic global optimization. Journal of Computational Chemistry, 20 (13). 1354-1370 doi:10.1002/(sici)1096-987x(199910)20:13<1354::aid-jcc3>3.0.co;2-n
Ruiz, Eliseo, Alemany, Pere, Alvarez, Santiago, Cano, Joan (1997) Structural Modeling and Magneto−Structural Correlations for Hydroxo-Bridged Copper(II) Binuclear Complexes. Inorganic Chemistry, 36 (17) 3683-3688 doi:10.1021/ic970310r
Ruiz, Eliseo, Alemany, Pere, Alvarez, Santiago, Cano, Joan (1997) Toward the Prediction of Magnetic Coupling in Molecular Systems:  Hydroxo- and Alkoxo-Bridged Cu(II) Binuclear Complexes. Journal Of The American Chemical Society, 119 (6) 1297-1303 doi:10.1021/ja961199b
Cano, Joan, Ruiz, Eliseo, Alvarez, Santiago, Verdaguer, Michel (1998) Spin Density Distribution in Transition Metal Complexes: Some Thoughts and Hints. Comments on Inorganic Chemistry, 20 (1) 27-56 doi:10.1080/02603599808032749
 
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