-
4
-
-
4744356873
-
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For example, the molecule of (COD)Cu(hfac) is quite tricky to model:
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S. L. Hinchley H. E. Robertson K. B. Borisenko A. R. Turner B. F. Johnston D. W. H. Rankin M. Ahmadian J. N. Jones A. H. Cowley Dalton Trans. 2004 2469
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Hinchley, S.L.1
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Ahmadian, M.7
Jones, J.N.8
Cowley, A.H.9
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6
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0033546354
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R. W. Alder P. R. Allen D. Hnyk D. W. H. Rankin H. E. Robertson B. A. Smart R. J. Gillespie I. Bytheway J. Org. Chem. 1999 64 4226
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Bytheway, I.8
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7
-
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33947453397
-
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The so-called Molecular Orbital Constrained Electron Diffraction (MOCED) method:
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K. Hedberg V. Schomaker J. Am. Chem. Soc. 1953 73 1482
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A. J. Blake P. T. Brain H. McNab J. Miller C. A. Morrison S. Parsons D. W. H. Rankin H. E. Robertson B. A. Smart J. Phys. Chem. 1996 100 12280
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0000572756
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Individual Gauge for Localised Orbitals: Springer-Verlag, Berlin Heidelberg
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Individual Gauge for Localised Orbitals: W. Kutzelnigg, U. Fleischer, and M. Schindler, in: NMR Basic Principles and Progress, Springer-Verlag, Berlin Heidelberg, 1990, vol. 23, 165
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Kutzelnigg, W.1
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14
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58249114916
-
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and references cited therein The nomenclature used to describe these calculations gives the method and basis set for the geometry optimisation after the //, while before it the method and basis set used to calculate the magnetic properties are stated
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Hehre, W.1
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22
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0003500644
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J. F. Liebmann, A. Greenberg, and R. E. Williams, (Eds.), (VCH Publishers, New York, 417
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30
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37049081240
-
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Electron-diffraction data were recorded in Budapest:
-
P. T. Brain D. W. H. Rankin H. E. Robertson I. L. Alberts A. J. Downs T. M. Greene M. Hofmann P. v. R. Schleyer J. Chem. Soc., Dalton Trans. 1995 2193
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Brain, P.T.1
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Greene, T.M.6
Hofmann, M.7
Schleyer, V.P.R.8
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44
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0030989482
-
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Indeed, Bohn and Bohn carried out such investigations but only the structure of 4c was determined accurately:
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M. L. McKee J. Am. Chem. Soc. 1997 119 4220
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McKee, M.L.1
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47
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0001005420
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P. T. Brain J. Covie D. J. Donohoe D. Hnyk D. W. H. Rankin D. Reed B. D. Reid H. E. Robertson A. J. Welch Inorg. Chem. 1996 35 1701
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Brain, P.T.1
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48
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37049070805
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D. Hnyk P. T. Brain H. E. Robertson D. W. H. Rankin M. Hofmann P. v. R. Schleyer M. Bühl J. Chem. Soc., Dalton Trans. 1994 2885
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Hnyk, D.1
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Bühl, M.7
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50
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0003495867
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10:
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A. Domenicano, In:, I. Hargittai, and, M. Hargittai, (Eds.), (Stereochemical Applications of Gas-Phase Electron Diffraction, VCH Publishers, Weinheim and New York, 1988, Part B, 281
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Domenicano, A.1
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57
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58249107868
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n + 1)
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D. Hnyk, D. A. Wann, J. Holub, S. Samdal, and D. W. H. Rankin, Inorg. Chem., submitted 2008
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Inorg. Chem., Submitted
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Hnyk, D.1
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67
-
-
0000399953
-
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The structure of another nido skeleton, 2-(trimethylsilyl)-2,3-dicarba- nido-hexaborane, was determined by GED alone:
-
D. Hnyk M. Hofmann P. v. R. Schleyer M. Bühl D. W. H. Rankin J. Phys. Chem. 1996 100 3435
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Hnyk, D.1
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69
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1842404207
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J. Holub B. tíbr D. Hnyk J. Fusek I. Císaová F. Teixidor C. Vias Z. Plzák P. v. R. Schleyer J. Am. Chem. Soc. 1997 119 7750
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70
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0039903129
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J. Pleek B. tíbr D. Hnyk T. Jelínek S. Hemánek J. D. Kennedy M. Hofmann P. v. R. Schleyer Inorg. Chem. 1998 37 3902
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77
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4844223500
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B. Brellochs J. Bakovský B. tíbr T. Jelínek J. Holub M. Bakardjiev D. Hnyk M. Hofmann I. Císaová B. Wrackmeyer Eur. J. Inorg. Chem. 2004 3605
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79
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33746879939
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D. Hnyk M. Bühl J. Holub S. A. Hayes D. A. Wann I. D. Mackie K. B. Borisenko H. E. Robertson D. W. H. Rankin Inorg. Chem. 2006 45 6014
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Rankin, D.W.H.9
-
83
-
-
33947100982
-
-
The computed structures will be published in another context The compound is formally classified as a hypho-dicarbaborane (4n + 8 = 32 valence electrons) but it is more usual to regard it as an ethene adduct of tetraborane(8):
-
M. G. S. Londesborough Z. Janouek B. tíbr D. Hnyk J. Pleek I. Císaová Dalton Trans. 2007 1221
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Londesborough, M.G.S.1
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84
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0010626922
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D. Hnyk P. T. Brain D. W. H. Rankin H. E. Robertson R. Greatrex N. N. Greenwood M. Kirk M. Bühl P. v. R. Schleyer Inorg. Chem. 1994 33 2572
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Hnyk, D.1
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85
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0010626229
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P. T. Brain M. Bühl M. A. Fox R. Greatrex E. Leuschner M. J. Picton D. W. H. Rankin H. E. Robertson Inorg. Chem. 1995 34 2841
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86
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0032489897
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P. T. Brain M. Bühl M. A. Fox R. Greatrex D. Hnyk A. Nikrahi D. W. H. Rankin H. E. Robertson J. Mol. Struct. 1998 445 319
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J. Mol. Struct.
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Brain, P.T.1
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89
-
-
0012383916
-
-
4 also exists, with the same geometrical shape:
-
D. Hnyk Polyhedron 1997 16 603
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Polyhedron
, vol.16
, pp. 603
-
-
Hnyk, D.1
-
97
-
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0003395985
-
-
Foreword of L. V. Vilkov, V. S. Mastryukov, and N. I. Sadova, Mir Publishers, Moscow
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R. Hoffmann, in Foreword of L. V. Vilkov, V. S. Mastryukov, and N. I. Sadova, Determination of the Geometrical Structure of Free Molecules, Mir Publishers, Moscow, 1983
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Determination of the Geometrical Structure of Free Molecules
-
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Hoffmann, R.1
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