Shavitt Memorial Festschrift Collection

ISSN: 1432-881X (Print) 1432-2234 (Online)

In this topical collection (31 articles)

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  1. No Access

    Regular Article

    Trihalide cations MF3 +, MCl3 + and MBr 3 + , M = B, Al, Ga: pseudo Jahn–Teller coupling, electronic spectra and ionization potentials of MX3

    Friedrich Grein Article:1482

  2. No Access

    Regular Article

    SDS: the ‘static–dynamic–static’ framework for strongly correlated electrons

    Wenjian Liu, Mark R. Hoffmann Article:1481

  3. No Access

    Regular Article

    Effects of the second hydration shell on excited-state multiple proton transfer: dynamics simulations of 7-azaindole:(H2O)1–5 clusters in the gas phase

    Nawee Kungwan, Khanittha Kerdpol, Rathawat Daengngern… Article:1480

  4. No Access

    Regular Article

    Loss of a C2H n fragment from pyrene and circumcoronene

    Charles W. Bauschlicher Jr., Alessandra Ricca Article:1479

  5. No Access

    Regular Article

    Atomic three- and four-body recurrence formulas and related summations

    Frank E. Harris Article:1475

  6. No Access

    Regular Article

    Quantum chemical characterization of the \({\tilde{X}}(^{1} A_{1} )\) , \({\tilde{a}}(^{3} B_{1} )\) , \({\tilde{A}}(^{1} B_{1} )\) and \({\tilde{B}}(2{}^{1}A_{1} )\) states of diiodomethylene and the enthalpies of formation of diiodomethylene, iodomethylene and iodomethylidyne

    George B. Bacskay Article:1474

  7. No Access

    Regular Article

    Performance of density functionals for computation of core electron binding energies in first-row hydrides and glycine

    Iogann Tolbatov, Daniel M. Chipman Article:1473

  8. No Access

    Regular Article

    The Wuppertal multireference configuration interaction (MRD-CI) program system

    Robert J. Buenker, Robin A. Phillips, Stefan Krebs… Article:1468

  9. No Access

    Regular Article

    Unitary group approach to the many-electron correlation problem: spin-dependent operators

    Xiangzhu Li, Josef Paldus Article:1467

  10. No Access

    Regular Article

    Efficient evaluation of exchange integrals by means of Fourier transform of the 1/r operator and its numerical quadrature

    Petr Čársky, Roman Čurík Article:1466

  11. No Access

    Regular Article

    σ–σ and σ–π pnicogen bonds in complexes H2XP:PCX, for X = F, Cl, OH, NC, CN, CCH, CH3, and H

    Janet E. Del Bene, Ibon Alkorta, José Elguero Article:1464
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