With Tag: Physical And Theoretical Chemistry

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Bicyclo[2.2.1]hepta-2-ene-5-yl-7-ylium Radical Cation:  A Theoretical Validation of a Bishomoaromatic Radical Cation Intermediate

Sten Lunell, Per-Erik Larsson, Nessima Salhi-Benachenhou
Org. Lett. | 2003 | 10.1021/ol034272t

A natural bond orbital analysis of the distonic bicyclo[2.2.1]hepta-2-ene-5-yl-7-ylium radical cation interprets its structure and radical character by a three-center two-electron bond between C2, C3, and C7 (a bishomoaromatic stabilization) and a singly...


Gas phase spectroscopic and dynamical studies at Free-Electron Lasers and other short wavelength sources

Lorenzo Avaldi, Michael Meyer
Journal of Electron Spectroscopy and Related Phenomena | 2015 | 10.1016/j.elspec.2015.09.003



Total synthesis of (5S)-dihydroyashabushiketol

Jan Romanski, Piotr Nowak, Christian Chapuis, Janusz Jurczak
Tetrahedron: Asymmetry | 2011 | 10.1016/j.tetasy.2011.04.014



Protein displacements under external forces: An atomistic Langevin dynamics approach

David Gnandt, Nadine Utz, Alexander Blumen, Thorsten Koslowski
The Journal of Chemical Physics | 2009 | 10.1063/1.3077005



Multiple steady states, complex oscillations, and the devil’s staircase in the peroxidase–oxidase reaction

Raima Larter, Christopher L. Bush, Timothy R. Lonis, Baltazar D. Aguda
The Journal of Chemical Physics | 1987 | 10.1063/1.453550



Reactions at your fingertips

Jon T. Njardarson
Nature Chemistry | 2012 | 10.1038/nchem.1416

Smart phones and tablets have revolutionized how we communicate, access and use information, work, travel, play and learn. Chemistry education and the field of chemistry have not surprisingly been positively impacted by this technology…


Sub-ångström-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate

Karl M. Erixon, Ronald Kluger, Ralf Ficner, Kai Tittmann, Stefan Lüdtke, Piotr Neumann, Finian Leeper
Nature Chemistry | 2013 | 10.1038/nchem.1728

It is recognized widely that enzymes promote reactions by providing a pathway that proceeds through a transition state of lower energy. In principle, further rate enhancements could be achieved if intermediates are prevented from relaxing to their lowest...


Remote-controlled experiments with cloud chemistry

Richard A. Bourne, Jairton Dupont, Zacharias Amara, Raphael Horvath, Emilia Streng, Nigist Asfaw, Eduardo Pérez, Ryan A. Skilton, Jing Jin, Michael J. Scully, Guilherme L. P. Aydos, Jiawei Wang, Gurbuz Comak, Michael W. George, Martyn Poliakoff, Samantha L. Y. Tang, Peter A. Summers
Nature Chemistry | 2015 | 10.1038/nchem.2143

Developing cleaner chemical processes often involves sophisticated flow-chemistry equipment that is not available in many economically developing countries. For reactions where it is the data that are important rather than the physical product, the networking...


Heterogeneous catalysis: Teaching an old material new tricks

Elio Giamello
Nature Chemistry | 2012 | 10.1038/nchem.1486

A classic calcium aluminate has been modified to create an inorganic electride that can be used as a promoter of the catalytic synthesis of ammonia.


Iron complexes: Rieske business

Laura Croft
Nature Chemistry | 2009 | 10.1038/nchem.280

Iron–sulfur clusters are common cofactors in biological systems and are involved in a range of functions, including electron transfer, substrate binding and activation. These clusters are usually ligated by the cysteine residues of a protein, but there are...


Diphosphenido ligands: Short and straight

Neil Withers
Nature Chemistry | 2009 | 10.1038/nchem.293

There has been only one example reported so far of a terminal phosphorus monoxide complex. The chemistry of this functional group, therefore, is unexplored compared with others containing main-group elements.


Rapid assembly of complex cyclopentanes employing chiral, α,β-unsaturated acylammonium intermediates

Khoi N. Van, Morgan E. Shirley, Daniel Romo, Rae Lynn McFarlin, Gang Liu
Nature Chemistry | 2013 | 10.1038/nchem.1788

With the intention of improving synthetic efficiency, organic chemists have turned to bioinspired organocascade or domino processes that generate multiple bonds and stereocentres in a single operation. However, despite the great importance of substituted...


Powering the planet with solar fuel

Harry B. Gray
Nature Chemistry | 2009 | 10.1038/nchem.141

With energy swiftly rising to the top of the world's agenda, Harry B. Gray at the California Institute of Technology looks at how chemistry can help to harness the power of the Sun to meet the world's energy needs.


Probing the biophysical interplay between a viral genome and its capsid

W. H. Roos, J. Snijder, G. A. Marti, D. M. A. Guérin, G. J. L. Wuite, R. J. Rose, A. J. R. Heck, J. Agirre, R. Sanchez-Eugenia, C. Uetrecht
Nature Chemistry | 2013 | 10.1038/nchem.1627

The interaction between a viral capsid and its genome governs crucial steps in the life cycle of a virus, such as assembly and genome uncoating. Tuning cargo–capsid interactions is also essential for successful design and cargo delivery in engineered viral...


2D materials: Porous graphene

Stephen Davey
Nature Chemistry | 2009 | 10.1038/nchem.415

The unusual electronic properties of graphene have generated great interest in research into other two-dimensional materials. Furthermore, introducing pores with controlled size and distribution could be a way of tuning these electronic properties.


High-performance Ag–Co alloy catalysts for electrochemical oxygen reduction

Adam Holewinski, Juan-Carlos Idrobo, Suljo Linic
Nature Chemistry | 2014 | 10.1038/nchem.2032

The electrochemical oxygen reduction reaction is the limiting half-reaction for low-temperature hydrogen fuel cells, and currently costly Pt-based electrocatalysts are used to generate adequate rates. Although most other metals are not stable in typical...


The effect of isotopic substitution on the chirality of a self-assembled helix

Maarten M. J. Smulders, Seda Cantekin, E. W. Meijer, Anja R. A. Palmans, Diederik W. R. Balkenende
Nature Chemistry | 2011 | 10.1038/nchem.889

N,N′,N″-trialkylbenzene-1,3,5-tricarboxamides (BTAs) self-assemble by means of strong, threefold α-helix-type intermolecular hydrogen bonding into well-defined, helical, one-dimensional columnar aggregates. When a stereogenic centre is introduced into...


Organometallic chemistry: Activating in concert

Paul MacLellan
Nature Chemistry | 2014 | 10.1038/nchem.1866

Nature 505, 199–203 (2014) Making complex and highly functionalized molecules from simple, relatively unreactive substrates is a goal of many modern synthetic techniques. The development of protocols that activate C–H bonds for reaction have in recent...


Electron microscopy: Gold rush

Claire Hansell
Nature Chemistry | 2014 | 10.1038/nchem.2079

Science 345, 909–912 (2014) For many molecules, organic and inorganic alike, X-ray crystallography is arguably the most reliable way to obtain detailed information on the positioning of atoms within the structure. However, crystallography, by definition,...


SnAP reagents for the one-step synthesis of medium-ring saturated N-heterocycles from aldehydes

Michael U. Luescher, Cam-Van T. Vo, Jeffrey W. Bode
Nature Chemistry | 2014 | 10.1038/nchem.1878

Interest in saturated N-heterocycles as scaffolds for the synthesis of bioactive molecules is increasing. Reliable and predictable synthetic methods for the preparation of these compounds, especially medium-sized rings, are limited. We describe the...

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