All Stories

  1. The Astrochemistry Implications of Quantum Chemical Normal Modes Vibrational Analysis
  2. On the Origin of the 3.3 μm Unidentified Infrared Emission Feature
  3. Search for Hydrogenated C60 (Fulleranes) in Circumstellar Envelopes
  4. On the topology of the electron density of H ...
  5. THE 6μm FEATURE AS A TRACER OF ALIPHATIC COMPONENTS OF INTERSTELLAR CARBONACEOUS GRAINS
  6. Fullerenes and fulleranes in circumstellar envelopes
  7. Theoretical infrared spectra of MAON molecules
  8. The barrier to the methyl rotation inCis-2-butene and its isomerization energy toTrans-2-butene, revisited
  9. ON THE ORIGIN OF THE 11.3 MICRON UNIDENTIFIED INFRARED EMISSION FEATURE
  10. A THEORETICAL STUDY ON THE VIBRATIONAL SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBON MOLECULES WITH ALIPHATIC SIDEGROUPS
  11. Chemical bonding in groups 10, 11, and 12 transition metal homodimers — An electron density study
  12. Relativistic-Consistent Electron Densities of the Coinage Metal Clusters M2, M4, M42–, and M4Na2(M = Cu, Ag, Au): A QTAIM Study
  13. Application of quantum theory of atoms in molecules on small single wall (6,0) zigzag carbon clusters. Part I: Topological analysis of electron density, structure and bonding
  14. Ab initio post-HF study of electronic charge density distribution of cyclic (B6C)−2: Concrete evidence of a novel bonding pattern
  15. Ab initio charge density analysis of (B6C)2–and B4C3species — How to describe the bonding pattern?
  16. Topological analysis and quantum mechanical structure of Hn+ clusters II. H5+ and H7+
  17. Topological analysis and quantum mechanical structure of H3+
  18. Ab initio relativistic-consistent calculations and charge density and experimental mass-spectroscopic analysis of mono and poly-nuclear clusters of group 11 and 12 transition metals and metal chlorides