Concept

Chemistry

Related publications (208)

Microhydration Effects on the Encapsulation of Potassium Ion by Dibenzo-18-Crown-6

We have measured electronic and conformer-specific vibrational spectra of hydrated dibenzo-18-crown-6 (DB18C6) complexes with potassium ion, K+center dot DB18C6 center dot(H2O)(n) (n = 1-5), in a cold, 22-pole ion trap. We also present for comparison spect ...

American Chemical Society2014

Sn surface-enriched Pt–Sn bimetallic nanoparticles as a selective and stable catalyst for propane dehydrogenation

David Lyndon Emsley, Lidong Li

A new one pot, surfactant-free, synthetic route based on the surface organometallic chemistry (SOMC) concept has been developed for the synthesis of Sn surface-enriched Pt-Sn nanoparticles. Bu3SnH selectively reacts with [Pt]-H formed in situ at the surfac ...

Elsevier2014

Quantum state specific reactant preparation in a molecular beam by rapid adiabatic passage

Rainer Beck, Helen Jane Chadwick, Phil Morten Hundt, Bruce Yoder

Highly efficient preparation of molecules in a specific rovibrationally excited state for gas/surface reactivity measurements is achieved in a molecular beam using tunable infrared (IR) radiation from a single mode continuous wave optical parametric oscill ...

American Institute of Physics2014

Vibrational Activation of Methane Chemisorption: The Role of Symmetry

Rainer Beck, Hirokazu Ueta, Phil Morten Hundt, Maarten Eduard van Reijzen

Quantum state-resolved reactivity measurements probe the role of vibrational symmetry on the vibrational activation of the dissociative chemisorption of CH4 on Pt(111). IR–IR double resonance excitation in a molecular beam is used to prepare CH4 in all thr ...

Amer Chemical Soc2014

Crystal structure diversity in the bis hydrotris-(3,5-dimethylpyrazolyl)borate iodouranium(III) complex: from neutral to cationic forms

Marinella Mazzanti

The iodouranium(iii) complex with two hydrotris(3,5-dimethylpyrazolyl) borate ligands is shown to adopt three closely related forms in the solid state. In addition to the previously reported structure for [U(TpMe2) 2I], in which one of the pyrazolyl rings ...

2013

Chemistry of Doped Colloidal Nanocrystals

Raffaella Buonsanti

Review. Synthetic control over inorg. nanocrystals has made dramatic strides so that a great no. of binary and a few ternary or more complex compds. can now be prepd. with good control over size and phys. properties. Recently, chemists have tackled the lon ...

2013

Rhodopsin Absorption from First Principles: Bypassing Common Pitfalls

Ursula Röthlisberger, Ivano Tavernelli, Pablo Campomanes Ramos

Bovine rhodopsin is the most extensively studied retinal protein and is considered the prototype of this important class of photosensitive biosystems involved in the process of vision. Many theoretical investigations have attempted to elucidate the role of ...

Amer Chemical Soc2013

Morphological Computation and Morphological Control: Steps Toward a Formal Theory and Applications

John Richard Walker

Morphological computation can be loosely defined as the exploitation of the shape, material properties, and physical dynamics of a physical system to improve the efficiency of a computation. Morphological control is the application of morphological computi ...

Mit Press2013

Trajectory-Based Nonadiabatic Dynamics with Time-Dependent Density Functional Theory

Ursula Röthlisberger, Ivano Tavernelli, Basile Curchod

Understanding the fate of an electronically excited molecule constitutes an important task for theoretical chemistry, and practical implications range from the interpretation of atto- and femtosecond spectroscopy to the development of light-driven molecula ...

Wiley-Blackwell2013

Computational Quantum Chemical Studies on Radicals

Peter Rudolf Tentscher

Radicals play an important role in many areas of chemistry, such as atmospheric, aquatic, polymer, and biological, to name a few. Radicals are often highly reactive species which are short-lived and therefore harder to study by experimental techniques. In ...

EPFL2013

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