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Showing results for ISSN matching 1463-9076

A conformational factorisation approach for estimating the binding free energies of macromolecules

JOURNAL ARTICLE published 2014 in Phys. Chem. Chem. Phys.

Authors: Kenji Mochizuki | Chris S. Whittleston | Sandeep Somani | Halim Kusumaatmaja | David J. Wales

https://doi.org/10.1039/c3cp53537a Actions

Dihydroazulene: from controlling photochromism to molecular electronics devices

JOURNAL ARTICLE published 20 August 2014 in Phys. Chem. Chem. Phys.

Authors: Søren Lindbæk Broman | Mogens Brøndsted Nielsen

https://doi.org/10.1039/c4cp02442g Actions

The hydration of glucose: the local configurations in sugar–water hydrogen bonds

JOURNAL ARTICLE published 2008 in Phys. Chem. Chem. Phys.

Authors: Teppei Suzuki

https://doi.org/10.1039/b708719e Actions

Direct vs. indirect pathway for nitrobenzene reduction reaction on a Ni catalyst surface: a density functional study

JOURNAL ARTICLE published 21 October 2014 in Phys. Chem. Chem. Phys.

Authors: Arup Mahata | Rohit K. Rai | Indrani Choudhuri | Sanjay K. Singh | Biswarup Pathak

https://doi.org/10.1039/c4cp04355c Actions

Searching for the thermodynamic limit – a DFT study of the step-wise water oxidation of the bipyramidal Cu7cluster

JOURNAL ARTICLE published 2014 in Phys. Chem. Chem. Phys.

Authors: Joakim Halldin Stenlid | Adam Johannes Johansson | Tore Brinck

https://doi.org/10.1039/c3cp53865f Actions

Fluorescence spectroscopy of individual semiconductor nanoparticles in different ethylene glycols

JOURNAL ARTICLE published 2014 in Phys. Chem. Chem. Phys.

Authors: Sandra Flessau | Christopher Wolter | Elmar Pöselt | Elvira Kröger | Alf Mews | Tobias Kipp

https://doi.org/10.1039/c4cp00443d Actions

Chirped-pulse millimeter-wave spectroscopy for dynamics and kinetics studies of pyrolysis reactions

JOURNAL ARTICLE published 2014 in Phys. Chem. Chem. Phys.

Authors: Kirill Prozument | G. Barratt Park | Rachel G. Shaver | AnGayle K. Vasiliou | James M. Oldham | Donald E. David | John S. Muenter | John F. Stanton | Arthur G. Suits | G. Barney Ellison | Robert W. Field

https://doi.org/10.1039/c3cp55352c Actions

Eutectic melting of LiBH4–KBH4

JOURNAL ARTICLE published 2014 in Phys. Chem. Chem. Phys.

Authors: Morten B. Ley | Elsa Roedern | Torben R. Jensen

https://doi.org/10.1039/c4cp03207a Actions

Determining the storage, availability and reactivity of NH3within Cu-Chabazite-based Ammonia Selective Catalytic Reduction systems

JOURNAL ARTICLE published 2014 in Phys. Chem. Chem. Phys.

Authors: I. Lezcano-Gonzalez | U. Deka | B. Arstad | A. Van Yperen-De Deyne | K. Hemelsoet | M. Waroquier | V. Van Speybroeck | B. M. Weckhuysen | A. M. Beale

https://doi.org/10.1039/c3cp54132k Actions

The KCaSrTa5O15 photocatalyst with tungsten bronze structure for water splitting and CO2 reduction

JOURNAL ARTICLE published 2014 in Phys. Chem. Chem. Phys.

Authors: Tomoaki Takayama | Kentaro Tanabe | Kenji Saito | Akihide Iwase | Akihiko Kudo

https://doi.org/10.1039/c4cp03892d Actions

Silica-surface reorganization during organotin grafting evidenced by 119Sn DNP SENS: a tandem reaction of gem-silanols and strained siloxane bridges

JOURNAL ARTICLE published 2014 in Phys. Chem. Chem. Phys.

Authors: Matthew P. Conley | Aaron J. Rossini | Aleix Comas-Vives | Maxence Valla | Gilles Casano | Olivier Ouari | Paul Tordo | Anne Lesage | Lyndon Emsley | Christophe Copéret

https://doi.org/10.1039/c4cp01973c Actions

Vibrational spectroscopy of anionic nitrate complexes of UO22+and Eu3+isolated in the gas phase

JOURNAL ARTICLE published 2008 in Phys. Chem. Chem. Phys.

Authors: G. S. Groenewold | J. Oomens | W. A. de Jong | G. L. Gresham | M. E. McIlwain | M. J. Van Stipdonk

https://doi.org/10.1039/b715337f Actions

CO adsorption on Cu–Pd alloy surfaces: ligand versus ensemble effects

JOURNAL ARTICLE published 2007 in Phys. Chem. Chem. Phys.

Authors: Sung Sakong | Christian Mosch | Axel Groß

https://doi.org/10.1039/b615547b Actions

Solar-to-hydrogen efficiency exceeding 2.5% achieved for overall water splitting with an all earth-abundant dual-photoelectrode

JOURNAL ARTICLE published 2014 in Phys. Chem. Chem. Phys.

Authors: Chunmei Ding | Wei Qin | Nan Wang | Guiji Liu | Zhiliang Wang | Pengli Yan | Jingying Shi | Can Li

https://doi.org/10.1039/c4cp02391a Actions

H2dissociation on individual Pd atoms deposited on Cu(111)

JOURNAL ARTICLE published 2012 in Phys. Chem. Chem. Phys.

Authors: M. Ramos | A. E. Martínez | H. F. Busnengo

https://doi.org/10.1039/c1cp22163a Actions

Cross-diffusion and pattern formation in reaction–diffusion systems

JOURNAL ARTICLE published 2009 in Phys. Chem. Chem. Phys.

Authors: Vladimir K. Vanag | Irving R. Epstein

https://doi.org/10.1039/b813825g Actions

Matrix-isolation FT-IR spectra and molecular orbital calculations on neutral N,N-dimethylglycine

JOURNAL ARTICLE published 2003 in Phys. Chem. Chem. Phys.

Authors: A. Gómez-Zavaglia | I. D. Reva | R. Fausto

https://doi.org/10.1039/b207320j Actions

Band gap engineering of FeS2 under biaxial strain: a first principles study

JOURNAL ARTICLE published 2014 in Phys. Chem. Chem. Phys.

Authors: Pin Xiao | Xiao-Li Fan | Li-Min Liu | Woon-Ming Lau

https://doi.org/10.1039/c4cp03453h Actions

Environmental effects on proton transfer in a strong hydrogen bond dimer: The 4-methyl-imidazole-aspartate case

JOURNAL ARTICLE published 2005 in Phys. Chem. Chem. Phys.

Authors: Pedro C. Gómez | Luis F. Pacios

https://doi.org/10.1039/b416104a Actions

A facile route for the synthesis of nanostructured oxides and hydroxides of cobalt using laser ablation synthesis in solution (LASIS)

JOURNAL ARTICLE published 2014 in Phys. Chem. Chem. Phys.

Authors: Sheng Hu | Chad Melton | Dibyendu Mukherjee

https://doi.org/10.1039/c4cp03018d Actions
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