Articles with public access mandates - Michael DolgLearn more
Not available anywhere: 46
Relativistic pseudopotentials: their development and scope of applications
M Dolg, X Cao
Chemical reviews 112 (1), 403-480, 2012
Mandates: German Research Foundation
Accurate relativistic small-core pseudopotentials for actinides. Energy adjustment for uranium and first applications to uranium hydride
M Dolg, X Cao
The Journal of Physical Chemistry A 113 (45), 12573-12581, 2009
Mandates: German Research Foundation
Fully automated incremental evaluation of MP2 and CCSD (T) energies: Application to water clusters
J Friedrich, M Dolg
Journal of Chemical Theory and Computation 5 (2), 287-294, 2009
Mandates: German Research Foundation
Quasirelativistic f-in-core pseudopotentials and core-polarization potentials for trivalent actinides and lanthanides: molecular test for trifluorides
A Weigand, X Cao, J Yang, M Dolg
Theoretical Chemistry Accounts 126, 117-127, 2010
Mandates: German Research Foundation
Understanding lanthanoid (III) hydration structure and kinetics by insights from energies and wave functions
J Zhang, N Heinz, M Dolg
Inorganic Chemistry 53 (14), 7700-7708, 2014
Mandates: German Research Foundation
Titanocene catalyzed 4-exo cyclizations: Mechanism, experiment, catalyst design
J Friedrich, K Walczak, M Dolg, F Piestert, T Lauterbach, D Worgull, ...
Journal of the American Chemical Society 130 (5), 1788-1796, 2008
Mandates: German Research Foundation
Implementation and performance of a domain-specific basis set incremental approach for correlation energies: Applications to hydrocarbons and a glycine oligomer
J Friedrich, M Dolg
The Journal of Chemical Physics 129 (24), 2008
Mandates: German Research Foundation
Energy screening for the incremental scheme: Application to intermolecular interactions
J Friedrich, M Hanrath, M Dolg
The Journal of Physical Chemistry A 111 (39), 9830-9837, 2007
Mandates: German Research Foundation
The origin of the photoluminescence enhancement of gold‐doped silver nanoclusters: the importance of relativistic effects and heteronuclear gold–silver bonds
XY Xie, P Xiao, X Cao, WH Fang, G Cui, M Dolg
Angewandte Chemie International Edition 57 (31), 9965-9969, 2018
Mandates: National Natural Science Foundation of China, German Research Foundation
Visible‐Light Photocatalysis of C(sp3)‐H Fluorination by the Uranyl Ion: Mechanistic Insights
L Wu, X Cao, X Chen, W Fang, M Dolg
Angewandte Chemie International Edition 57 (36), 11812-11816, 2018
Mandates: National Natural Science Foundation of China, German Research Foundation
Enhancing actinide (III) over lanthanide (III) selectivity through hard-by-soft donor substitution: exploitation and implication of near-degeneracy-driven covalency
B Sadhu, M Dolg
Inorganic chemistry 58 (15), 9738-9748, 2019
Mandates: German Research Foundation
Regulatory mechanism of the enantioselective intramolecular enone [2+ 2] photocycloaddition reaction mediated by a chiral lewis acid catalyst containing heavy atoms
H Wang, X Cao, X Chen, W Fang, M Dolg
Angewandte Chemie International Edition 54 (48), 14295-14298, 2015
Mandates: German Research Foundation
A Quantum chemical study of the haptotropic rearrangements of Cr (CO) 3 on naphthalene and phenanthrene systems
S Ketrat, S Müller, M Dolg
The Journal of Physical Chemistry A 111 (27), 6094-6102, 2007
Mandates: German Research Foundation
Error analysis of incremental electron correlation calculations and applications to clusters and potential energy surfaces
J Friedrich, M Hanrath, M Dolg
Chemical Physics 338 (1), 33-43, 2007
Mandates: German Research Foundation
Actinoid (III) Hydration First Principle Gibbs Energies of Hydration Using High Level Correlation Methods
N Heinz, J Zhang, M Dolg
Journal of Chemical Theory and Computation 10 (12), 5593-5598, 2014
Mandates: German Research Foundation
Third-order incremental dual-basis set zero-buffer approach: An accurate and efficient way to obtain ccsd and ccsd (t) energies
J Zhang, M Dolg
Journal of Chemical Theory and Computation 9 (7), 2992-3003, 2013
Mandates: German Research Foundation
Evaluation of incremental correlation energies for open-shell systems: Application to the intermediates of the 4-exo cyclization, Arduengo carbenes and an anionic water cluster
J Friedrich, M Hanrath, M Dolg
The Journal of Physical Chemistry A 112 (37), 8762-8766, 2008
Mandates: German Research Foundation
Using symmetry in the framework of the incremental scheme: Molecular applications
J Friedrich, M Hanrath, M Dolg
Chemical Physics 346 (1-3), 266-274, 2008
Mandates: German Research Foundation
Energy resonance crossing controls the photoluminescence of europium antenna probes
Q Zhang, L Wu, X Cao, X Chen, W Fang, M Dolg
Angewandte Chemie International Edition 56 (27), 7986-7990, 2017
Mandates: National Natural Science Foundation of China, German Research Foundation
Dispersion Interaction Stabilizes Sterically Hindered Double Fullerenes
J Zhang, M Dolg
Chemistry–A European Journal 20 (43), 13909-13912, 2014
Mandates: German Research Foundation
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