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Chemistry (Weinheim an Der Bergstrasse, Germany)|July 26, 2018
Redox-Active Chiroptical Switching in Mono- and Bis-Iron Ethynylcarbo[6]helicenes Studied by Electronic and Vibrational Circular Dichroism and Resonance Raman Optical ActivityChengshuo Shen, Monika Srebro-Hooper, Thomas Weymuth, et al.Journal of Medicinal Chemistry|September 3, 2013
Studies toward the development of new silicon-containing building blocks for the direct (18)F-labeling of peptidesLukas O Dialer, Svetlana V Selivanova, Carmen J Müller, et al.The Journal of Chemical Physics|March 1, 2023
High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validationJan P Unsleber, Hongbin Liu, Leopold Talirz, et al.Journal of the American Chemical Society|June 27, 2017
Redox Activity of Oxo-Bridged Iridium Dimers in an N,O-Donor Environment: Characterization of Remarkably Stable Ir(IV,V) ComplexesShashi Bhushan Sinha, Dimitar Y Shopov, Liam S Sharninghausen, et al.Angewandte Chemie (International Ed. in English)|December 17, 2024
Mechanistic Insights Into Post-Translational α-Keto-β-Amino Acid Formation by a Radical S-Adenosyl Methionine Peptide SpliceaseAnna L Vagstad, Edgars Lakis, Katja-Sophia Csizi, et al.Journal of Computational Chemistry|June 6, 2009
MOLCAS 7: the next generationFrancesco Aquilante, Luca De Vico, Nicolas Ferré, et al.JACS Au|January 30, 2026
Disentangling First and Second Sphere Effects in Iron-Sulfur CubanesLiam Grunwald, Katja-Sophia Csizi, Daniel Klose, et al.Journal of the American Chemical Society|February 20, 2026
Boosting Computational Catalysis and Chemical Reactivity with Artificial IntelligenceKonstantinos D Vogiatzis, Clémence Corminboeuf, Ainara Nova, et al.Journal of Chemical Theory and Computation|November 11, 2025
A Perspective on Quantum Computing Applications in Quantum Chemistry Using 25-100 Logical QubitsYuri Alexeev, Victor S Batista, Nicholas Bauman, et al.The Journal of Chemical Physics|June 8, 2020
Modern quantum chemistry with [Open]MolcasFrancesco Aquilante, Jochen Autschbach, Alberto Baiardi, et al.Pageof 26