1. Introduction: a Festschrift in honor of Philip J. Stephens’ 65th birthday

   • Gerard M. Jensen
   • Karl J. Jalkanen

   Introduction 04 May 2007 Pages: 1 - 3

2. Philip J. Stephens: A scientific memoir

   • Philip J. Stephens

   Regular Article 30 January 2007 Pages: 5 - 18

3. Determination of the absolute configuration of chiral molecules via density functional theory calculations of vibrational circular dichroism and optical rotation: The chiral alkane D₃-anti-trans-anti-trans-anti-trans-perhydrotriphenylene

   • P. J. Stephens
   • F. J. Devlin
   • J. Hulliger

   Regular Article 03 February 2007 Pages: 19 - 28

4. The change of the proton magnetic shielding in red- and blue-shifted linear hydrogen-bonded complexes

   • Sean A. C. McDowell
   • A. David Buckingham

   Regular Article 07 December 2006 Pages: 29 - 34

5. Electronic structures of tetragonal nitrido and nitrosyl metal complexes

   • Patrick Hummel
   • Jay R. Winkler
   • Harry B. Gray

   Regular Article 12 January 2007 Pages: 35 - 38

6. Theory of Raman scattering and Raman optical activity: near resonance theory and levels of approximation

   • Laurence A. Nafie

   Regular Article 27 April 2007 Pages: 39 - 55

7. Extended charge decomposition analysis and its application for the investigation of electronic relaxation

   • Serge I. Gorelsky
   • Edward I. Solomon

   Regular Article 14 March 2007 Pages: 57 - 65

8. Extended charge decomposition analysis and its application for the investigation of electronic relaxation

   • Serge I. Gorelsky
   • Edward I. Solomon

   Erratum 18 April 2007 Pages: 67 - 67

9. Reduction of linear birefringence in vibrational circular dichroism measurement: use of a rotating half-wave plate

   • Xiaolin Cao
   • Rina K. Dukor
   • Laurence A. Nafie

   Regular Article 21 April 2007 Pages: 69 - 79

10. Tight β-turns in peptides. DFT-based study of infrared absorption and vibrational circular dichroism for various conformers including solvent effects

    • Joohyun Kim
    • Josef Kapitán
    • Timothy A. Keiderling

    Regular Article 22 December 2006 Pages: 81 - 97

11. Response tensors for chiral discrimination in NMR spectroscopy

    • Paolo Lazzeretti
    • Alessandro Soncini
    • Riccardo Zanasi

    Regular Article 01 December 2006 Pages: 99 - 106

12. Protein voltammetry and spectroscopy: integrating approaches

    • Louise Male
    • Sophie J. Marritt
    • Julea N. Butt

    Regular Article 09 January 2007 Pages: 107 - 111

13. Characterizing vibrational motion beyond internal coordinates

    • Werner Hug
    • Maxim Fedorovsky

    Regular Article 12 December 2006 Pages: 113 - 131

14. Direct determination of absolute configuration: a vibrational circular dichroism study on dimethyl-substituted phenyloxiranes synthesized by Shi epoxidation

    • Peter Fristrup
    • Peter Rygaard Lassen
    • K. J. Jalkanen

    Regular Article 19 December 2006 Pages: 133 - 142

15. Regional organic geochemistry of host sediments of Palaeoproterozoic McArthur River Ore deposit, Australia

    • Karen L. Mackenzie
    • Craig P. Marshall
    • Malcolm R. Walter

    Regular Article 26 May 2007 Pages: 143 - 153

16. A combined theoretical and experimental study of the structure and vibrational absorption, vibrational circular dichroism, Raman and Raman optical activity spectra of the L-histidine zwitterion

    • E. Deplazes
    • W. van Bronswijk
    • K. J. Jalkanen

    Regular Article 18 April 2007 Pages: 155 - 176

17. A configurational and conformational study of aframodial and its diasteriomers via experimental and theoretical VA and VCD spectroscopies

    • K. J. Jalkanen
    • Julian D. Gale
    • S. Suhai

    Regular Article 25 October 2007 Pages: 177 - 190

18. Role of hydration in determining the structure and vibrational spectra of L-alanine and N-acetyl L-alanine N′-methylamide in aqueous solution: a combined theoretical and experimental approach

    • K. J. Jalkanen
    • I. M. Degtyarenko
    • L. D. Barron

    Regular Article 09 August 2007 Pages: 191 - 210

19. trans-1,2-Dicyano-cyclopropane and other cyano-cyclopropane derivatives

    • K. J. Jalkanen
    • J. D. Gale
    • G. M. Jensen

    Regular Article 17 October 2007 Pages: 211 - 229

20. An IEF-PCM study of solvent effects on the Faraday \({\mathcal{B}}\) term of MCD

    • Harald Solheim
    • Luca Frediani
    • Sonia Coriani

    Regular Article 17 February 2007 Pages: 231 - 244

21. A vibrational circular dichroism implementation within a Slater-type-orbital based density functional framework and its application to hexa- and hepta-helicenes

    • Valentin Paul Nicu
    • Johannes Neugebauer
    • Evert Jan Baerends

    Regular Article Open access 03 February 2007 Pages: 245 - 263

22. Classification of protein fold classes by knot theory and prediction of folds by neural networks: A combined theoretical and experimental approach

    • K. Ramnarayan
    • H. G. Bohr
    • K. J. Jalkanen

    Regular Article 15 May 2007 Pages: 265 - 274

23. A definition for the covalent and ionic bond index in a molecule

    • Mark D. Gould
    • Christopher Taylor
    • Dylan Jayatilaka

    Regular Article 12 April 2007 Pages: 275 - 290

24. A liposomal dispersion formulation of propofol: formulation, pharmacokinetics, stability, and identification of an oxidative degradant

    • G. M. Jensen
    • C. S. Ashvar
    • S. Yang

    Regular Article 27 April 2007 Pages: 291 - 296