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Andrew J. Atkins
Andrew J. Atkins
Bestätigte E-Mail-Adresse bei univie.ac.at
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Zitiert von
Zitiert von
Jahr
ADF2017, SCM, theoretical chemistry
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
Vrije Universiteit, 2017
1872017
ADF2017
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
SCM, Theoretical Chemistry, 2017
1652017
Selective catalytic reduction of NO over Fe-ZSM-5: mechanistic insights by operando HERFD-XANES and valence-to-core X-ray emission spectroscopy
A Boubnov, HWP Carvalho, DE Doronkin, T Günter, E Gallo, AJ Atkins, ...
Journal of the American Chemical Society 136 (37), 13006-13015, 2014
1322014
Structural snapshots of the SCR reaction mechanism on Cu-SSZ-13
T Günter, HWP Carvalho, DE Doronkin, T Sheppard, P Glatzel, AJ Atkins, ...
Chemical Communications 51 (44), 9227-9230, 2015
1142015
Origin-independent calculation of quadrupole intensities in X-ray spectroscopy
S Bernadotte, AJ Atkins, CR Jacob
Journal of Chemical Physics 137 (20), 204106, 2012
982012
Trajectory Surface-Hopping Dynamics Including Intersystem Crossing in [Ru(bpy)3]2+
AJ Atkins, L González
The Journal of Physical Chemistry Letters 8 (16), 3840-3845, 2017
872017
Theoretical Chemistry
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
Vrije Universiteit, Amsterdam, The Netherlands https://www. scm. com, 2014
842014
ADF2017, SCM, Theoretical Chemistry (Vrije Universiteit, Amsterdam, The Netherlands, 2017)
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
Google Scholar There is no corresponding record for this reference, 0
83
The chemical sensitivity of X-ray spectroscopy: high energy resolution XANES versus X-ray emission spectroscopy of substituted ferrocenes
AJ Atkins, M Bauer, CR Jacob
Physical Chemistry Chemical Physics 15 (21), 8095-8105, 2013
582013
SHARC: Surface hopping including arbitrary couplings—Program package for non-adiabatic dynamics
S Mai, M Richter, M Heindl, M Menger, A Atkins, M Ruckenbauer, ...
sharc-md. org, 2014
522014
Probing the Electronic Structure of Substituted Ferrocenes with High‐Resolution XANES Spectroscopy
AJ Atkins, CR Jacob, M Bauer
Chemistry-A European Journal 18 (23), 7021-7025, 2012
422012
Assessing excited state energy gaps with time-dependent density functional theory on Ru (II) complexes
AJ Atkins, F Talotta, L Freitag, M Boggio-Pasqua, L Gonzalez
Journal of Chemical Theory and Computation 13 (9), 4123-4145, 2017
362017
High-resolution X-ray absorption spectroscopy of iron carbonyl complexes
AJ Atkins, M Bauer, CR Jacob
Physical Chemistry Chemical Physics 17 (21), 13937-13948, 2015
322015
L. kuiz-Ramirezc, M. Schröder
AJ Atkins, D Black, AJ Blake, A Marin-Becerra, S Parsons
J. Chem. Soc., Chem. Commun 457, 1996
321996
ADF2014. SCM. Theoretical Chemistry. Vrije Universiteit. Amsterdam
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
302014
ADF2017, SCM
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, O Baseggio, D Bashford, ...
Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands …, 2017
272017
Sharc2. 0: Surface Hopping Including Arbitrary Couplings–Program Package for Non-Adiabatic Dynamics, 2018
S Mai, M Richter, M Heindl, M Menger, A Atkins, M Ruckenbauer, ...
Google Scholar There is no corresponding record for this reference, 0
27
The influence of the electronic structure method on intersystem crossing dynamics. The case of thioformaldehyde
S Mai, AJ Atkins, F Plasser, L González
Journal of Chemical Theory and Computation 15 (6), 3470-3480, 2019
212019
Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
172019
SM, M
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
Swart, D. Swerhone, G. te Velde, V. Tognetti, P. Vernooijs, L. Versluis, L …, 2017
172017
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