Highlights in Computational Chemistry II

Editorial: Clark, T.: Paul von Ragué Schleyer 75th birthday Festschrift.- Original Papers: Slootweg, J.C.; Ehlers, A.W., Lammertsma, K: Valence isomerization of 2-phospha-4-silabicyclo[1.1.0] butane.-.: a high-level ab initio study.- Wu, H.-S.; Cui, X.-Y.; Qin, X.-F.: Boron nitride cages from B12N12 to B36N36: square-hexagon.- Strout, D. L.; Jiao, H.: alternants vs boron nitride tubes.- Calvete, M.J.F.; Dini, D. Hanack, M.; Sancho-García, J.C.; Chen, W.; Ji W.: Synthesis, DFT calculations, linear and nonlinear optical properties of binuclear phthalocyanine gallium chloride.- Zhang, F.-Q.; Wu, H.-S.; Xu, Y.-Y.; Li, Y.-W.; Jiao, H.: Structure and stability of neutral polyoxometalate cages (Mo2O6)m (m=1-13).- Rasul, G.; Prakash, G.K.S.; Olah, G.A.: Theoretical study of AIH2+n (n=1-7) dications.- Bickelhaupt, F.M.; Solà, M.; Fonseca Guerra, C.: Structure and bonding of methyl alkali metal molecules.- Alexandrova, A.N.; Koyle, E.; Boldyrev, A.I.: Theoretical study of hydrogenation of the doubly aromatic B7¯ cluster.- Subramanian, G.; Kitchen, D.B.: Computational approaches for modeling human intestinal absorption and permeability.- Goldfuss, B.; Schumacher, M.: Umpolung catalysts: comparative assessments on reactivities.- Kiani, F.A.; Hofmann, M.: Periodic trends and easy estimation of relative stabilities in 11-vertex nido-p-block-heteroboranes and -borates.- Sieg, S.; Stutz, B.; Schmidt, T.; Hamprecht, F.; Maier, W.F.: A QCAR-approach to materials modeling.- Alex, A.; Hänsele, E.; Clark, T.: The ethylene/metal(0) and ethylene/metal(I) redox system: model ab initio calculations.- Chiappe, C.; Pomelli, C.S.; Lenoir, D.; Wattenbach, C.: The first intermediates in the bromination of bicyclo[3.3.1] nonylidenebicyclo[3.3.1]nonane, combination of experiments and theoretical results .- Biswas, P.K.; Niu, J.; Frederico, T.; Gogonea, V.: Numerical simulation and graphical analysis of in vitro benign tumor growth: application of single-particle state bosonicmatter equation with

Tim Clark ist der Kopf der Community BusinessModel-You.com. Der Trainer und Unternehmer ist zurzeit Gastprofessor an der University of Tsukuba in Tokio.