Emilie Cauët: search on Z-Library

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1

Electron-Attachment-Induced DNA Damage: Instantaneous Strand Breaks

Cauët, Emilie, Bogatko, Stuart, Liévin, Jacques, De Proft, Frank, Geerlings, Paul

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 2.79 MB

english, 2013

2

Sequence dependence of electron-induced DNA strand breakage revealed by DNA nanoarrays

Keller, Adrian, Rackwitz, Jenny, Cauët, Emilie, Liévin, Jacques, Körzdörfer, Thomas, Rotaru, Alexandru, Gothelf, Kurt V., Besenbacher, Flemming, Bald, Ilko

Journal:

Scientific Reports

Year:

2014

Language:

english

File:

PDF, 675 KB

english, 2014

3

Probing Electron-Induced Bond Cleavage at the Single-Molecule Level Using DNA Origami Templates

Keller, Adrian, Bald, Ilko, Rotaru, Alexandru, Cauët, Emilie, Gothelf, Kurt V., Besenbacher, Flemming

Journal:

Year:

2012

Language:

english

File:

PDF, 2.85 MB

english, 2012

4

A theoretical spectroscopy investigation of oxosumanenes

Emilie Cauët, Denis Jacquemin

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 927 KB

english, 2012

5

Synthesis of 15N-labeled vicinal diamines through N-activated chiral aziridines: tools for the NMR study of platinum-based anticancer compounds

Berger, Gilles, Gelbcke, Michel, Cauët, Emilie, Luhmer, Michel, Nève, Jean, Dufrasne, François

Journal:

Tetrahedron Letters

Year:

2013

Language:

english

File:

PDF, 468 KB

english, 2013

6

The Aqueous Ca 2+ System, in Comparison with Zn 2+ , Fe 3 + , and Al 3 + : An Ab Initio Molecular Dynamics Study

Bogatko, Stuart, Cauët, Emilie, Bylaska, Eric, Schenter, Gregory, Fulton, John, Weare, John

Journal:

Chemistry - A European Journal

Year:

2013

Language:

english

File:

PDF, 1.64 MB

english, 2013

7

Unique Hole-Trapping Property of the Human Telomere Sequence

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2011

Language:

english

File:

PDF, 384 KB

english, 2011

8

Ab Initio Study of the Ionization of the DNA Bases: Ionization Potentials and Excited States of the Cations

Cauët, Emilie, Dehareng, Dominique, Liévin, Jacques

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 345 KB

english, 2006

9

Improved DFT-Based Interpretation of ESI-MS of Aqueous Metal Cations

Stuart Bogatko, Emilie Cauët, Paul Geerlings

Journal:

Journal of the American Society for Mass Spectrometry

Year:

2013

Language:

english

File:

PDF, 255 KB

english, 2013

10

Cisplatin cytotoxicity: a theoretical study of induced mutations

Cerón-Carrasco, José P., Jacquemin, Denis, Cauët, Emilie

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.80 MB

english, 2012

11

On the coupling of solvent characteristics to the electronic structure of solute molecules

Bogatko, Stuart, Cauët, Emilie, Geerlings, Paul, De Proft, Frank

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.73 MB

english, 2014

12

[Advances in Quantum Chemistry] Volume 52 || Radical Cations of the Nucleic Bases and Radiation Damage to DNA: Ab Initio Study

Year:

2007

Language:

english

File:

PDF, 498 KB

english, 2007

13

Near-Quantitative Agreement of Model-Free DFT-MD Predictions with XAFS Observations of the Hydration Structure of Highly Charged Transition-Metal Ions

Fulton, John L., Bylaska, Eric J., Bogatko, Stuart, Balasubramanian, Mahalingam, Cauët, Emilie, Schenter, Gregory K., Weare, John H.

Journal:

The Journal of Physical Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 2.25 MB

english, 2012

14

Benchmarking DFT and TD-DFT Functionals for the Ground and Excited States of Hydrogen-Rich Peptide Radicals

Riffet, Vanessa, Jacquemin, Denis, Cauët, Emilie, Frison, Gilles

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 4.51 MB

english, 2014

15

Histidine−Aromatic Interactions in Proteins and Protein−Ligand Complexes: Quantum Chemical Study of X-ray and Model Structures

Cauët, Emilie, Rooman, Marianne, Wintjens, René, Liévin, Jacques, Biot, Christophe

Journal:

Journal of Chemical Theory and Computation

Year:

2005

Language:

english

File:

PDF, 364 KB

english, 2005

16

Ion Association in AlCl 3 Aqueous Solutions from Constrained First-Principles Molecular Dynamics

Cauët, Emilie, Bogatko, Stuart A., Bylaska, Eric J., Weare, John H.

Journal:

Inorganic Chemistry

Year:

2012

Language:

english

File:

PDF, 2.86 MB

english, 2012

17

Conformations Consistent with Charge Migration Observed in DNA and RNA X-ray Structures

Rooman, Marianne, Cauët, Emilie, Liévin, Jacques, Wintjens, René

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2011

Language:

english

File:

PDF, 1.44 MB

english, 2011

18

Peculiar properties of homoleptic Cu complexes with dipyrromethene derivatives

Servaty, Kathleen, Cauët, Emilie, Thomas, Fabrice, Lambermont, Javiera, Gerbaux, Pascal, De Winter, Julien, Ovaere, Margriet, Volker, Leen, Vaeck, Nathalie, Van Meervelt, Luc, Dehaen, Wim, Moucheron,

Journal:

Dalton Transactions

Year:

2013

Language:

english

File:

PDF, 930 KB

english, 2013

19

Rydberg electron capture by neutral Al hydrolysis products

Bogatko, Stuart, Cauët, Emilie, Geerlings, Paul

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.30 MB

english, 2013

20

Corrigendum to “Synthesis of 15N-labeled vicinal diamines through N-activated chiral aziridines: tools for the NMR study of platinum-based anticancer compounds” [Tetrahedron Lett. 54 (2013) 545–548]

Berger, Gilles, Gelbcke, Michel, Cauët, Emilie, Luhmer, Michel, Nève, Jean, Dufrasne, François

Journal:

Tetrahedron Letters

Year:

2015

Language:

english

File:

PDF, 239 KB

english, 2015

21

Understanding the within-host dynamics of influenza A virus: from theory to clinical implications

Hadjichrysanthou, Christoforos, Cauët, Emilie, Lawrence, Emma, Vegvari, Carolin, de Wolf, Frank, Anderson, Roy M.

Journal:

Journal of The Royal Society Interface

Year:

2016

Language:

english

File:

PDF, 887 KB

english, 2016

22

Photo-CIDNP reveals different protonation sites depending on the primary step of the photo-induced electron/proton transfer process with Ru(II) polyazaaromatic complexes.

Troian-Gautier, Ludovic, Mugeniwabagara, Epiphanie, Fusaro, Luca, Cauët, Emilie, Kirsch-De Mesmaeker, Andree, Luhmer, Michel

Journal:

Journal of the American Chemical Society

Year:

2017

Language:

english

File:

PDF, 2.10 MB

english, 2017

23

Using Clinical Trial Simulators to Analyse the Sources of Variance in Clinical Trials of Novel Therapies for Acute Viral Infections

Vegvari, Carolin, Cauët, Emilie, Hadjichrysanthou, Christoforos, Lawrence, Emma, Weverling, Gerrit-Jan, de Wolf, Frank, Anderson, Roy M., Reich, Nicholas G.

Journal:

Year:

2016

Language:

english

File:

PDF, 884 KB

english, 2016