Theoretical study of B2H+5, B2H+6, and B2H6

Keywords

Metastability, Photoionization, Ion, Perturbation theory (quantum mechanics), Physics

References

• Binary association complexes of lithium monohydride, beryllium dihydride, and borane. Relative isomer stabilities and barrier heights for their interconversion: energy barriers in the dimerization reactionsD. J. DeFrees, Krishnan Raghavachari, H. Bernhard Schlegel — 1987
• Molecular structure and energeticsJoel F. Liebman, Arthur Greenberg — 1986
• Contribution of triple substitutions to the electron correlation energy in fourth order perturbation theoryR. Krishnan, Michael J. Frisch, John A. Pople — 1980
• A theoretical study of the energies of BHn compoundsLarry A. Curtiss, John A. Pople — 1988
• Theoretical study of structures and energies of acetylene, ethylene, and vinyl radical and cationLarry A. Curtiss, John A. Pople — 1988
• Dimerization energy of boraneMichael J. Page, George F. Adams, J. Stephen Binkley — 1987
• Quadratic configuration interaction. A general technique for determining electron correlation energiesJohn A. Pople, Martin Head‐Gordon, Krishnan Raghavachari — 1987
• Photoionization studies of (BH3)n (n=1,2)Branko Ruščić, Chris A. Mayhew, J. Berkowitz — 1988
• A Theoretical Investigation of the Nuclear and Electronic-structure of Some Xyhn(q) Small Molecules and IonsM. Sana, G. Leroy — 1987
• Self‐consistent molecular orbital methods 25. Supplementary functions for Gaussian basis setsMichael J. Frisch, John A. Pople, J. Stephen Binkley — 1984
• The floating spherical gaussian orbital model and shape of B2H5 ionRamesh C. Rastogi, N. K. Ray — 1977
• The electronic structure of the B2H5+ ionBrian J. Duke, Danae Stephens — 1972
• Theoretical thermochemistry. 3. A modified procedure for ionization energies of AH/sub n/ speciesJohn A. Pople, Larry A. Curtiss — 1987
• AB INITIO STUDY OF ADDITIVITY. 2Michael L. McKee, W. N. Lipscomb — 1985

Cited by

• A Computational Investigation of Hydrocarbon Cracking: Gas Phase and Heterogeneous Catalytic Reactions on ZeolitesXiaobo Zheng — 2006
• Theroretical study of B2H+3, B2H+2, and B2H+Larry A. Curtiss, John A. Pople — 1989
• An ab initio study of simple 1,3-cyclodisiloxane derivativesÁrpád Somogyi, József Tamás, Attila G. Császár — 1991
• Theoretical study of the CICS2 adductMichael L. McKee — 1993
• Boron dimer: dissociation energy and ionization potentialsPeter W. Deutsch, L.A. Curtiss, John A. Pople — 1990
• Molecular structure and thermal stability of B2H4 and B2H+4 speciesBranko Ruščić, M. Schwarz, J. Berkowitz — 1989
• A parallel vectorized implementation of triple excitations in CCSD(T): application to the binding energies of the AlH3, AlH2F, AlHF2 and AlF3 dimersAlistair P. Rendell, Timothy J. Lee, Andrew Komornicki — 1991
• Ultrafast dynamics of electronically excited diborane radical cationV. Sivaranjana Reddy, Samala Nagaprasad Reddy, S. Mahapatra — 2015
• Metastable fragmentation of excited B2H+6 ionsC Beglinger, R. Rüede, Martin Jungen — 1991
• Theoretical study of GeHn, AsHn, and SeHn: bond dissociation energiesR. C. Binning, Larry A. Curtiss — 1990
• Theoretical study of the C–H bond dissociation energy of acetyleneLarry A. Curtiss, John A. Pople — 1989
• Theoretical study of B2H+4 and B2H4Larry A. Curtiss, John A. Pople — 1989
• A comparative study of Mayer's indexes in BnHm speciesÁrpád Somogyi, Ágnes Gömöry — 1992
• Conformational study on the structures and energies of the weakly bound complexes of AlCl3 with diatomic moleculesIssac Jimenez-Fabian, Abraham F. Jalbout, A. Boutalib — 2007
• Gas-phase positive and negative ion/molecule reactions in diborane and silane/diborane mixturesLorenza Operti, Roberto Rabezzana, Francesca Turco — 2007
• Gaussian-2 theory for molecular energies of first- and second-row compoundsLarry A. Curtiss, Krishnan Raghavachari, Gary W. Trucks — 1991
• The ethyl radical: Photoionization and theoretical studiesB. Ruscic, J. Berkowitz, Larry A. Curtiss — 1989
• Quantum Monte Carlo calculations of the dimerization energy of borane.F. David Fracchia, Dario Bressanini, Gabriele Morosi — 2011
• A high-level calculation of the proton affinity of diboraneLeon D. Betowski, Mark Enlow — 2003
• Double H-bridged and single H-bridged diboryl radicalsMendel Trachtman, C. W. BOCK, H. Niki — 1990

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