Volume 119, issue 1-3, January 2008

P.J. Stephens Honorary Issue

24 articles in this issue

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

Authors
- Gerard M. Jensen
- Karl J. Jalkanen
- Content type: Introduction
- Published: 04 May 2007
- Pages: 1 - 3
Philip J. Stephens: A scientific memoir

Authors
- Philip J. Stephens
- Content type: Regular Article
- Published: 30 January 2007
- Pages: 5 - 18
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

Authors (first, second and last of 4)
- P. J. Stephens
- F. J. Devlin
- J. Hulliger
- Content type: Regular Article
- Published: 03 February 2007
- Pages: 19 - 28
The change of the proton magnetic shielding in red- and blue-shifted linear hydrogen-bonded complexes

Authors
- Sean A. C. McDowell
- A. David Buckingham
- Content type: Regular Article
- Published: 07 December 2006
- Pages: 29 - 34
Electronic structures of tetragonal nitrido and nitrosyl metal complexes

Authors
- Patrick Hummel
- Jay R. Winkler
- Harry B. Gray
- Content type: Regular Article
- Published: 12 January 2007
- Pages: 35 - 38
Theory of Raman scattering and Raman optical activity: near resonance theory and levels of approximation

Authors
- Laurence A. Nafie
- Content type: Regular Article
- Published: 27 April 2007
- Pages: 39 - 55
Extended charge decomposition analysis and its application for the investigation of electronic relaxation

Authors
- Serge I. Gorelsky
- Edward I. Solomon
- Content type: Regular Article
- Published: 14 March 2007
- Pages: 57 - 65
Extended charge decomposition analysis and its application for the investigation of electronic relaxation

Authors
- Serge I. Gorelsky
- Edward I. Solomon
- Content type: Erratum
- Published: 18 April 2007
- Pages: 67 - 67
Reduction of linear birefringence in vibrational circular dichroism measurement: use of a rotating half-wave plate

Authors
- Xiaolin Cao
- Rina K. Dukor
- Laurence A. Nafie
- Content type: Regular Article
- Published: 21 April 2007
- Pages: 69 - 79
Tight β-turns in peptides. DFT-based study of infrared absorption and vibrational circular dichroism for various conformers including solvent effects

Authors (first, second and last of 5)
- Joohyun Kim
- Josef Kapitán
- Timothy A. Keiderling
- Content type: Regular Article
- Published: 22 December 2006
- Pages: 81 - 97
Response tensors for chiral discrimination in NMR spectroscopy

Authors
- Paolo Lazzeretti
- Alessandro Soncini
- Riccardo Zanasi
- Content type: Regular Article
- Published: 01 December 2006
- Pages: 99 - 106
Protein voltammetry and spectroscopy: integrating approaches

Authors (first, second and last of 7)
- Louise Male
- Sophie J. Marritt
- Julea N. Butt
- Content type: Regular Article
- Published: 09 January 2007
- Pages: 107 - 111
Characterizing vibrational motion beyond internal coordinates

Authors
- Werner Hug
- Maxim Fedorovsky
- Content type: Regular Article
- Published: 12 December 2006
- Pages: 113 - 131
Direct determination of absolute configuration: a vibrational circular dichroism study on dimethyl-substituted phenyloxiranes synthesized by Shi epoxidation

Authors (first, second and last of 4)
- Peter Fristrup
- Peter Rygaard Lassen
- K. J. Jalkanen
- Content type: Regular Article
- Published: 19 December 2006
- Pages: 133 - 142
Regional organic geochemistry of host sediments of Palaeoproterozoic McArthur River Ore deposit, Australia

Authors
- Karen L. Mackenzie
- Craig P. Marshall
- Malcolm R. Walter
- Content type: Regular Article
- Published: 26 May 2007
- Pages: 143 - 153
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

Authors (first, second and last of 7)
- E. Deplazes
- W. van Bronswijk
- K. J. Jalkanen
- Content type: Regular Article
- Published: 18 April 2007
- Pages: 155 - 176
A configurational and conformational study of aframodial and its diasteriomers via experimental and theoretical VA and VCD spectroscopies

Authors (first, second and last of 10)
- K. J. Jalkanen
- Julian D. Gale
- S. Suhai
- Content type: Regular Article
- Published: 25 October 2007
- Pages: 177 - 190
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

Authors (first, second and last of 7)
- K. J. Jalkanen
- I. M. Degtyarenko
- L. D. Barron
- Content type: Regular Article
- Published: 09 August 2007
- Pages: 191 - 210
trans-1,2-Dicyano-cyclopropane and other cyano-cyclopropane derivatives

Authors (first, second and last of 6)
- K. J. Jalkanen
- J. D. Gale
- G. M. Jensen
- Content type: Regular Article
- Published: 17 October 2007
- Pages: 211 - 229
An IEF-PCM study of solvent effects on the Faraday \({\mathcal{B}}\) term of MCD

Authors (first, second and last of 4)
- Harald Solheim
- Luca Frediani
- Sonia Coriani
- Content type: Regular Article
- Published: 17 February 2007
- Pages: 231 - 244
A vibrational circular dichroism implementation within a Slater-type-orbital based density functional framework and its application to hexa- and hepta-helicenes

Authors (first, second and last of 4)
- Valentin Paul Nicu
- Johannes Neugebauer
- Evert Jan Baerends
- Content type: Regular Article
- Open Access
- Published: 03 February 2007
- Pages: 245 - 263
Classification of protein fold classes by knot theory and prediction of folds by neural networks: A combined theoretical and experimental approach

Authors
- K. Ramnarayan
- H. G. Bohr
- K. J. Jalkanen
- Content type: Regular Article
- Published: 15 May 2007
- Pages: 265 - 274
A definition for the covalent and ionic bond index in a molecule

Authors (first, second and last of 5)
- Mark D. Gould
- Christopher Taylor
- Dylan Jayatilaka
- Content type: Regular Article
- Published: 12 April 2007
- Pages: 275 - 290
A liposomal dispersion formulation of propofol: formulation, pharmacokinetics, stability, and identification of an oxidative degradant

Authors (first, second and last of 11)
- G. M. Jensen
- C. S. Ashvar
- S. Yang
- Content type: Regular Article
- Published: 27 April 2007
- Pages: 291 - 296

Volume 119, issue 1-3, January 2008

P.J. Stephens Honorary Issue

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

Philip J. Stephens: A scientific memoir

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

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

Electronic structures of tetragonal nitrido and nitrosyl metal complexes

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

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

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

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

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

Response tensors for chiral discrimination in NMR spectroscopy

Protein voltammetry and spectroscopy: integrating approaches

Characterizing vibrational motion beyond internal coordinates

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

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

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

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

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

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

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

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

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

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

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

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Volume 119, issue 1-3, January 2008

P.J. Stephens Honorary Issue

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