Calculated Resonance Vibrational Raman Optical Activity Spectra of Naproxen and Ibuprofen
Krausbeck, Florian, Autschbach, Jochen, Reiher, Markus
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.12.2016)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.12.2016)
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Journal Article
Stabilization of activated fragments by shell‐wise construction of an embedding environment
Krausbeck, Florian, Sobez, Jan‐Grimo, Reiher, Markus
Published in Journal of computational chemistry (30.05.2017)
Published in Journal of computational chemistry (30.05.2017)
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Journal Article
Redox‐Active Chiroptical Switching in Mono‐ and Bis‐Iron Ethynylcarbo[6]helicenes Studied by Electronic and Vibrational Circular Dichroism and Resonance Raman Optical Activity
Shen, Chengshuo, Srebro‐Hooper, Monika, Weymuth, Thomas, Krausbeck, Florian, Navarrete, Juan T. López, Ramírez, Francisco J., Nieto‐Ortega, Belén, Casado, Juan, Reiher, Markus, Autschbach, Jochen, Crassous, Jeanne
Published in Chemistry : a European journal (09.10.2018)
Published in Chemistry : a European journal (09.10.2018)
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Journal Article
Choosing RASSCF orbital active spaces for multiple electronic states
Krausbeck, Florian, Mendive-Tapia, David, Thom, Alex J.W., Bearpark, Michael J.
Published in Computational and theoretical chemistry (15.07.2014)
Published in Computational and theoretical chemistry (15.07.2014)
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Journal Article
A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds
Song, Haigang, van der Velden, Niels S, Shiran, Sally L, Bleiziffer, Patrick, Zach, Christina, Sieber, Ramon, Imani, Aman S, Krausbeck, Florian, Aebi, Markus, Freeman, Michael F, Riniker, Sereina, Künzler, Markus, Naismith, James H
Published in Science advances (01.08.2018)
Published in Science advances (01.08.2018)
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Journal Article
Redox-active Chiroptical Switching in Mono- and Bis-Iron-Ethynyl-Carbo[6]Helicenes Studied by Electronic and Vibrational Circular Dichroism and Resonance Raman Optical Activity
Shen, Chengshuo, Srebro-Hooper, Monika, Krausbeck, Florian, Weymuth, Thomas, López Navarrete, Juan, Ramirez, Francisco, Nieto-Ortega, Belen, Casado, Juan, Reiher, Markus, Autschbach, Jochen, Crassous, Jeanne
Published in Chemistry : a European journal (09.10.2018)
Published in Chemistry : a European journal (09.10.2018)
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Journal Article