Alexander A Auer (Alexander Auer)

ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 13

Top Venues

Journal of the American Chemical Society

Physical chemistry chemical physics : PCCP

Chemistry (Weinheim an der Bergstrasse, Germany)

Journal of chemical theory and computation

MPI fuer Kohlenforschung

This page only lists publications with an associated author ORCID identifier.

Affiliation History

MPI fuer Kohlenforschung Jan 01 2018

Germany

Research Group Leader :: Molecular Theory and Spectroscopy

Publications

Marvin H Lechner, Anastasios Papadopoulos, Kantharuban Sivalingam, Alexander A Auer, Axel Koslowski, Ute Becker, Frank Wennmohs, Frank Neese
Code generation in ORCA: progress, efficiency and tight integration. Physical chemistry chemical physics : PCCP 26 (21) (2024)
Matthias Peeters, Lorenzo Baldinelli, Markus Leutzsch, Fabio Caló, Alexander A Auer, Giovanni Bistoni, Alois Fürstner
In Situ Observation of Elusive Dirhodium Carbenes and Studies on the Innate Role of Carboxamidate Ligands in Dirhodium Paddlewheel Complexes: A Combined Experimental and Computational Approach. Journal of the American Chemical Society (2024)
Marvin H Lechner, Anastasios Papadopoulos, Kantharuban Sivalingam, Alexander A Auer, Axel Koslowski, Ute Becker, Frank Wennmohs, Frank Neese
Code generation in ORCA: progress, efficiency and tight integration. Physical chemistry chemical physics : PCCP (2024)
Xiuxiu Yang, Edward J Reijerse, Kalishankar Bhattacharyya, Markus Leutzsch, Markus Kochius, Nils Nöthling, Julia Busch, Alexander Schnegg, Alexander A Auer, Josep Cornella
Radical Activation of N-H and O-H Bonds at Bismuth(II). Journal of the American Chemical Society 144 (36) (2022)
Corentin Poidevin, Georgi L Stoychev, Christoph Riplinger, Alexander A Auer
High Level Electronic Structure Calculation of Molecular Solid-State NMR Shielding Constants. Journal of chemical theory and computation 18 (4) (2022)
Sven Ole Jaeschke, Thisbe K Lindhorst, Alexander A Auer
Between Two Chairs: Combination of Theory and Experiment for the Determination of the Conformational Dynamics of Xylosides. Chemistry (Weinheim an der Bergstrasse, Germany) 28 (56) (2022)
Fabio P Caló, Giovanni Bistoni, Alexander A Auer, Markus Leutzsch, Alois Fürstner
Triple Resonance Experiments for the Rapid Detection of 103Rh NMR Shifts: A Combined Experimental and Theoretical Study into Dirhodium and Bismuth-Rhodium Paddlewheel Complexes. Journal of the American Chemical Society 143 (32) (2021)
Zahra Farmani, Alessandro Vetere, Corentin Poidevin, Alexander A Auer, Wolfgang Schrader
Studying Natural Buckyballs and Buckybowls in Fossil Materials. Angewandte Chemie (International ed. in English) 59 (35) (2020)
Hannes C Gottschalk, Anja Poblotzki, Mariyam Fatima, Daniel A Obenchain, Cristóbal Pérez, Jens Antony, Alexander A Auer, Leonardo Baptista, David M Benoit, Giovanni Bistoni, Fabian Bohle, Rahma Dahmani, Dzmitry Firaha, Stefan Grimme, Andreas Hansen, Michael E Harding, Majdi Hochlaf, Christof Holzer, Georg Jansen, Willem Klopper, Wassja A Kopp, Małgorzata Krasowska, Leif C Kröger, Kai Leonhard, Muneerah Mogren Al-Mogren, Halima Mouhib, Frank Neese, Max N Pereira, Muthuramalingam Prakash, Inga S Ulusoy, Ricardo A Mata, Martin A Suhm, Melanie Schnell
The first microsolvation step for furans: New experiments and benchmarking strategies. The Journal of chemical physics 152 (16) (2020)
Anneke Dittmer, Georgi L Stoychev, Dimitrios Maganas, Alexander A Auer, Frank Neese
Computation of NMR Shielding Constants for Solids Using an Embedded Cluster Approach with DFT, Double-Hybrid DFT, and MP2. Journal of chemical theory and computation 16 (11) (2020)
Małgorzata Krasowska, Ana-Maria Fritzsche, Michael Mehring, Alexander A Auer
Balancing Donor-Acceptor and Dispersion Effects in Heavy Main Group Element π Interactions: Effect of Substituents on the Pnictogen⋅⋅⋅π Arene Interaction. Chemphyschem : a European journal of chemical physics and physical chemistry 20 (19) (2019)
Małgorzata Krasowska, Wolfgang B Schneider, Michael Mehring, Alexander A Auer
High-Level Ab Initio Calculations of Intermolecular Interactions: Heavy Main-Group Element π-Interactions. Chemistry (Weinheim an der Bergstrasse, Germany) (2018)
Ana-Maria Preda, Małgorzata Krasowska, Lydia Wrobel, Philipp Kitschke, Philip C Andrews, Jonathan G MacLellan, Lutz Mertens, Marcus Korb, Tobias Rüffer, Heinrich Lang, Alexander A Auer, Michael Mehring
Evaluation of dispersion type metal···π arene interaction in arylbismuth compounds - an experimental and theoretical study. Beilstein journal of organic chemistry 14 (2018)

Alexander A Auer.css-eqlu8i{font-size:small;padding-left:4px;} (Alexander Auer)

Publication Activity (10 Years)

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Alexander A Auer (Alexander Auer)