DeutschesFachbuch.de : Highlights in Computational Chemistry II Special reprint edition of selected papers published in the Journal of Molecular Modeling on the occasion of Professor Paul von Ragué Schleyer's 75th birthday

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TABLE OF CONTENTS
Editorial
Clark, T. Paul von Ragué Schleyer 75 th birthday Festschrift 529
Original Papers
Slootweg, J.C.; Ehlers, A.W.;
Lammertsma, K. Valence isomerization of 2-phospha-4-silabicyclo[1.1.0]butane: a hi...
Wu, H.-S.; Cui, X.-Y.; Qin, X.-F.;
Strout, D.L.; Jiao, H. Boron nitride cages from B 12 N 12 to B 36 N 36 : squar...
Calvete, M.J.F.; Dini, D.;
Hanack, M.; Sancho-Garcia, J.C.;
Chen, W.; Ji W. Synthesis, DFT calculations, linear and nonlinear optical properti...
Zhang, F.-Q.; Wu, H.-S.; Xu, Y.-Y.; S
Li, Y.-W.; Jiao, H. tructure and stability of neutral polyoxometalate cages: (Mo ...
Rasul, G.; Prakash, G.K.S.;
Olah, G.A. Theoretical study of AIH n 2+ (n=1-7) dications 559
Bickelhaupt, F.M.; Sola, M.;
Fonseca Guerra, C. Structure and bonding of methyl alkali metal molecules 563
Alexandrova, A.N.; Koyle, E.;
Boldyrev, A.I. Theoretical study of hydrogenation of the doubly aromatic B 7 -clus...
Subramanian, G.; Kitchen, D.B. Computational approaches for modeling human intesti...
Goldfuss, B.; Schumacher, M. Umpolung catalysts: comparative assessments on reacti...
Kiani, F.A.; Hofmann, M. Periodic trends and easy estimation of relative stabiliti...
in 11-vertex nido-p-block-heteroboranes and -borates 597
Sieg, S.; Stutz, B.; Schmidt, T.;
Hamprecht, F.; Maier, W.F. A QCAR-approach to materials modeling 611
Alex, A.; Hänsele, E.; Clark, T. The ethylene/metal(0) and ethylene/metal(I) redox...
Chiappe, C.; Pomelli, C.S.;
Lenoir, D.; Wattenbach, C. The first intermediates in the bromination of bicyclo [3...
Biswas, P.K.; Niu, J.; Frederico, T.;
Gogonea, V. Numerical simulation and graphical analysis of in vitro benign tumor g...
Alder, R.W.; Davis, A.P. The design of organic catalysis for epoxidation by hydrog...
Brown, C. A.; McKee, M.L. Rearrangements in icosahedral boranes and carboranes rev...
Mo, Y. Probing the nature of hydrogen bonds in DNA base pairs 665
Streitwieser, A. Ion pair aggregates and reactions; experiment and theory 673
Xiao, Y.; Jung, D.; Gund, T.;
Malhotra, S.V. An experimental and theoretical study of the enantioselective depro...
Salzner, U.; Karalti, O.;
Durdagi, S. Does the donor-acceptor concept work for designing synthetic metals? I...
Setzer, W.N.; Rozmus, G.F.;
Setzer, M.C.; Schmidt, J.M.;
Vogler, B.; Reeb, S.; Jackes, B.R.;
Irvine, A.K. Bioactive principles in the bark of Pilidiostigma tropicum 703
Weingart, O.; Schapiro, I.;
Buss V. Bond torsion affects the product distribution in the photoreaction of reti...
Koch, R.; Bruhn, T. Theoretical 49 Ti NMR chemical shifts 723
Glaser, R.; Wu, H.;
von Saint Paul, F. Chemical carcinogens in non-enzymatic cytosine deamination: 3-i...
Puchta, R.; Clark, T.; Bauer, W. The formation of endo-complexes between calixaren...
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