Web Release Date: July 4, 2008
Methyl 3-Amino-2,3,6,-trideoxy-L -hexopyranosides in DFT Level Theory Conformational Studies Andrzej Nowacki and Beata Liberek(Article) DOI: 10.1021/jp802248d
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Web Release Date: July 3, 2008
A Promising Change in the Selection of the Circular Polarization Excitation Used in the Measurement of Eu(III) Circularly Polarized Luminescence King Do, Françoise C. Muller, and Gilles Muller(Letter) DOI: 10.1021/jp804463e
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Structures, Electron Affinities, and Harmonic Vibrational Frequencies of the Simplest Alkyl Peroxyl Radicals and Their Anions Wenguo Xu and Gaoyu Lu(Article) DOI: 10.1021/jp7118923
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Determination of Individual Proton Affinities of Reserpine from Its UV−Vis and Charge-Transfer Spectra Bankim Chandra Ghosh, Nipamanjari Deb, and Asok K. Mukherjee(Article) DOI: 10.1021/jp802082y
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“Roaming” Dynamics in CH3 CHO Photodissociation Revealed on a Global Potential Energy Surface Benjamin C. Shepler, Bastiaan J. Braams, and Joel M. Bowman(Article) DOI: 10.1021/jp802331t Submitted for publication in the special issue:
A: Stephen Leone Festschrift
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Web Release Date: July 2, 2008
Evaluation of the Molecular Polarizability Using the IPPP−CLOPPA−INDO/S Method. Application to Molecules of Biological Interest Edith Botek, Claudia Giribet, Martín Ruiz de Azúa, Ricardo Martín Negri, and Delia Bernik(Article) DOI: 10.1021/jp711620m
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Hydrated Electron Production by Reaction of Hydrogen Atoms with Hydroxide Ions: A First-Principles Molecular Dynamics Study Jean Philippe Renault, Rodolphe Vuilleumier, and Stanislas Pommeret(Article) DOI: 10.1021/jp800269s
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Molecular Dynamics of Host−Guest Complexes of Small Gas Molecules with Calix[4]arenes John E. Adams, Jack R. Cox, Andrew J. Christiano, and Carol A. Deakyne(Article) DOI: 10.1021/jp800492y
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The Kinetics of Competing Multiple-Barrier Unimolecular Dissociations of o -, m -, and p -Chlorotoluene Radical Cations Jongcheol Seo, Hyun-Il Seo, Seung-Joon Kim, and Seung Koo Shin(Article) DOI: 10.1021/jp801098p
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Effect of Relative Humidity on OH Uptake by Surfaces of Atmospheric Importance Jong-Ho Park, Andrey V. Ivanov, and Mario J. Molina(Article) DOI: 10.1021/jp8012317
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Electronic and Structural Properties of the (101̅0) and (112̅0) ZnO Surfaces N. L. Marana, V. M. Longo, E. Longo, J. B. L. Martins, and J. R. Sambrano(Article) DOI: 10.1021/jp801718x Submitted for publication in the special issue:
A: Energetics and Dynamics of Molecules, Solids, and Surfaces
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Pd-Catalyzed Homocoupling Reaction of Arylboronic Acid: Insights from Density Functional Theory H. Lakmini, I. Ciofini, A. Jutand, C. Amatore, and C. Adamo(Article) DOI: 10.1021/jp801948u Submitted for publication in the special issue:
A: Sason Shaik Festschrift
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Comparative Thermodynamic Studies of Aqueous Glutaric Acid, Ammonium Sulfate and Sodium Chloride Aerosol at High Humidity Kate L. Hanford, Laura Mitchem, Jonathan P. Reid, Simon L. Clegg, David O. Topping, and Gordon B. McFiggans(Article) DOI: 10.1021/jp802520d
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Raman, FTIR, Photoacoustic-FTIR and Inelastic Neutron Scattering Spectra of Alkaline Earth and Lanthanide Salts of Hexahydridoruthenate(II), A2 RuH6 , (A = Ca, Sr, Eu) and Their Deuterides Mirela M. Barsan, Ian S. Butler, Denis F.R. Gilson, Ralph O. Moyer Jr., Wei Zhou, Hui Wu, and Terrence J. Udovic(Article) DOI: 10.1021/jp803013h
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Toward More Efficient CCSD(T) Calculations of Intermolecular Interactions in Model Hydrogen-Bonded and Stacked Dimers Pavlína Dedíková, Michal Pitoňák, Pavel Neogrády, Ivan Černušák, and Miroslav Urban(Article) DOI: 10.1021/jp8033903
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Web Release Date: July 1, 2008
Multiphoton Control of the 1,3-Cyclohexadiene Ring-Opening Reaction in the Presence of Competing Solvent Reactions Elizabeth C. Carroll, James L. White, Andrei C. Florean, Philip H. Bucksbaum, and Roseanne J. Sension(Feature Article) DOI: 10.1021/jp8013404
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Variable Temperature Neutron Diffraction and X-Ray Charge Density Studies of Tetraacetylethane Paula M. B. Piccoli, Thomas F. Koetzle, Arthur J. Schultz, Elizabeth A. Zhurova, Jernej Stare, A. Alan Pinkerton, Juergen Eckert, and Dusan Hadzi(Article) DOI: 10.1021/jp800204r
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