Computational studies on the dimers and the thermal dimerization of norbornadiene
暂无分享,去创建一个
Ying Xue | Chan Kyung Kim | Yong Wu | Ying Xue | Yong Wu | Chan Kyung Kim
[1] Ernest R. Davidson,et al. How robust is present‐day DFT? , 1998 .
[2] H. C. Volger,et al. Valence isomerization of quadricyclene to norbornadiene catalyzed by transition metal complexes , 1967 .
[3] Parr,et al. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. , 1988, Physical review. B, Condensed matter.
[4] A. Becke. Density-functional thermochemistry. III. The role of exact exchange , 1993 .
[5] R. Lindh,et al. Tetramethylene: A CASPT2 study , 1998 .
[6] I. Gould,et al. Bond-Coupled Electron Transfer Reactions: Photoisomerization of Norbornadiene to Quadricyclane , 1999 .
[7] I. Paul,et al. Dimerization and trimerization of norbornadiene by soluble rhodium catalysts , 1972 .
[8] J. Carnahan,et al. The preparation of tetracyclo[4.3.0.02,3.03,7]non-8-ene and the dimerization of it and of benzonorbornadiene by rhodium on carbon , 1967 .
[9] C. Kutal,et al. Photogenerated catalysis by transition-metal complexes. Photoacceleration of the valence isomerization of quadricyclene to norbornadiene in the presence of PdCl2(.eta.4-norbornadiene) , 1984 .
[10] D. V. Dmitriev,et al. Catalytic Syntheses of Polycyclic Compounds Based on Norbornadiene in the Presence of Nickel Complexes: IV. Problems of Regioselectivity in Norbornadiene Codimerization with Activated Olefins , 2004 .
[11] W. Fuß,et al. Ultrafast charge transfer via a conical intersection in dimethylaminobenzonitrile , 2002, Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology.
[12] G. Voecks,et al. TRIMERIC STRUCTURE AND MIXED CYCLOADDITION FROM THE NICKEL-CATALYZED REACTION OF NORBORNADIENE , 1975 .
[13] Chien‐Hong Cheng,et al. [2 + 2] Dimerization of norbornadiene and its derivatives in the presence of nickel complexes and zinc metal , 1995 .
[14] S. Bott,et al. Crystal structures of four dibromomethylene-functionalized cage compounds , 1998 .
[15] T. J. Chow,et al. Molybdenum-mediated dimerization of norbornadiene and derivatives , 1987 .
[16] T. J. Chow,et al. A stereospecific dimerization of norbornadiene derivatives and the crystal structure of heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane , 1985 .
[17] M. Paddon-Row,et al. Unexpected Complexity in the Thermal [π2 + σ2 + σ2] Cycloaddition Reactions of Quadricyclane: Theory and Isotope Effects , 1999 .
[18] H. Lischka,et al. Revisiting the stationary points on the potential energy surface of tetramethylene at the MR-AQCC level using analytic gradients , 2003 .
[19] G. Smith,et al. Thermal and photochemical dimerization of norbornadiene using tetracarbonylnickel as a catalyst , 1972 .
[20] K. Houk,et al. Density Functional Theory Prediction of the Relative Energies and Isotope Effects for the Concerted and Stepwise Mechanisms of the Diels−Alder Reaction of Butadiene and Ethylene , 1996 .
[21] F. Bernardi,et al. Ab initio MC-SCF study of thermal and photochemical [2 + 2] cycloadditions , 1994 .
[22] B. Hill,et al. Photodimerization of norbornadiene using chromium hexacarbonyl , 1970 .
[23] M. Kassaee,et al. Solar energy storage in norbornadiene–quadricyclane system: electronic effects via ab initio computations , 2005 .
[24] J. Jensen. Vibrational frequencies and structural determination of norbornadiene , 2005 .
[25] S. Anderson,et al. PYROLYSIS AND ISOMERIZATION OF QUADRICYCLANE, NORBORNADIENE, AND TOLUENE , 1998 .
[26] Xu‐wu An,et al. Enthalpy of isomerization of quadricyclane to norbornadiene , 1993 .
[27] Y. Inadomi,et al. Theoretical study of the thermal interconversion mechanism between the norbornadiene and quadricyclane radical cations , 1998 .
[28] J. Doubleday. Tetramethylene Optimized by MRCI and by CASSCF with a Multiply Polarized Basis Set , 1996 .
[29] F. Bernardi,et al. The existence and stability of singlet tetramethylene biradicals: an ab initio MCSCF/MP2 study , 1992 .
[30] R. Parr. Density-functional theory of atoms and molecules , 1989 .
[31] W. Fuß,et al. Ultrafast [2 + 2]-cycloaddition in norbornadiene , 2002, Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology.
[32] N. Turro,et al. Rh(III)-Photosensitized Interconversion of Norbornadiene and Quadricyclane , 1997 .
[33] S. Davis,et al. Ab initio study of the thermal isomerization of quadricyclane to norbornadiene , 2005 .
[34] T. J. Katz,et al. Structure of Binor-S established rom the dione derivative. Crystal and molecular structure of decahydro[1,2,4:5,6,8]dimetheno-s-indacenedione , 1971 .
[35] D. Cremer,et al. Can Unrestricted Density-Functional Theory Describe Open Shell Singlet Biradicals? , 2002 .
[36] S. Alihodžić,et al. Photochemical Chlorocarbonylation of HCTD by Oxalyl Chloride. Carbocation-Mediated Rearrangement of HCTD Derivatives to Novel, Substituted Heptacyclopentadecanes , 1998 .
[37] H. F. King,et al. Is tetramethylene an intermediate , 1984 .
[38] J. McIver,et al. Structural dependence of the singlet-triplet energy gap of the tetramethylene biradical , 1985 .
[39] Fernando Bernardi,et al. An MC-SCF study of the thermal cycloaddition of two ethylenes , 1985 .