Cover image for Vol. 18 Issue 12

Editor: Greta Heydenrych; Editorial Board Chairs: Christian Amatore, Michael Grätzel, Michel Orrit

Impact Factor: 3.075

ISI Journal Citation Reports © Ranking: 2016: 8/35 (Physics Atomic Molecular & Chemical); 54/145 (Chemistry Physical)

Online ISSN: 1439-7641

Associated Title(s): Advanced Materials, ChemBioChem, ChemCatChem, ChemElectroChem, ChemPhotoChem, ChemSusChem, Small

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Recently Published Articles

  1. User Authorization at the Molecular Scale

    Omer Lustgarten, Dr. Leila Motiei and Dr. David Margulies

    Version of Record online: 26 JUN 2017 | DOI: 10.1002/cphc.201700506

    Thumbnail image of graphical abstract

    Protected by Molecules: Over the last decade, a wide range of molecular keypad locks that can authorize unique chemical and optical “passwords” have emerged. This minireview outlines important developments in this field and highlights several potential advantages of using molecular security devices, which complicate bypassing them by unauthorized users. The possibility of combining molecular password protection with molecular cryptography and steganography is also discussed.

  2. Role of Dynamic Heterogeneities in Ionic Liquids: Insights from All-Atom and Coarse-Grained Molecular Dynamics Simulation Studies

    Dr. Tamisra Pal and Prof. Michael Vogel

    Version of Record online: 26 JUN 2017 | DOI: 10.1002/cphc.201700504

    Thumbnail image of graphical abstract

    Molecular dynamics simulations are performed for the model room-temperature ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([Bmim][PF6]) to compare the characteristic times of different dynamical modes, from vibration to diffusion, by using all-atom or coarse-grained models. This study shows the importance of dynamical heterogeneities at different levels of chemical resolution and over broad temperature ranges.

  3. On the Importance of Nonbonding Donor–Acceptor Interactions Involving PO2. Radicals: An ab Initio Study

    Dr. Antonio Bauzá and Prof. Antonio Frontera

    Version of Record online: 26 JUN 2017 | DOI: 10.1002/cphc.201700399

    Thumbnail image of graphical abstract

    Nonbonding donor–acceptor interactions: The ability of the PO2. radical to establish noncovalent bonding interactions is studied theoretically (RI-MP2/aug-cc-pVQZ). In addition, natural bond orbital (NBO) and atoms-in-molecules (AIM) analyses as well as Mulliken spin density plots have been carried out to further characterize the interactions discussed.

  4. Chirality Induction from a Chiral Guest to the Hydrogen-Bonding Network of Its Hexameric Resorcinarene Host Capsule

    Corina H. Pollok, Dr. Qi Zhang, Prof. Dr. Konrad Tiefenbacher and Dr. Christian Merten

    Version of Record online: 23 JUN 2017 | DOI: 10.1002/cphc.201700610

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    Inside out: Using a combined approach of chiroptical spectroscopy and DFT calculations, the authors show that a small chiral amine can induce a chiral conformation to a hexameric resorcin[4]arene capsule.

  5. Triplet Harvesting with a Simple Aromatic Carbonyl

    Christian Torres Ziegenbein, Sascha Fröbel, Maria Glöß, Roberto S. Nobuyasu, Przemyslaw Data, Andrew Monkman and Peter Gilch

    Accepted manuscript online: 22 JUN 2017 10:45AM EST | DOI: 10.1002/cphc.201700683