Search Results - "Krausbeck, Florian"

Calculated Resonance Vibrational Raman Optical Activity Spectra of Naproxen and Ibuprofen by Krausbeck, Florian, Autschbach, Jochen, Reiher, Markus

“…Determining the absolute configuration of a molecule is possible by means of various chiroptical spectroscopic methods, one of them being vibrational Raman…”
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Stabilization of activated fragments by shell‐wise construction of an embedding environment by Krausbeck, Florian, Sobez, Jan‐Grimo, Reiher, Markus

“…An activated fragment which is structurally unstable when considered isolated can be stabilized through binding to a suitable molecular environment; for…”
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Redox‐Active Chiroptical Switching in Mono‐ and Bis‐Iron Ethynylcarbo[6]helicenes Studied by Electronic and Vibrational Circular Dichroism and Resonance Raman Optical Activity by 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

“…Introducing one or two alkynyl–iron moieties onto a carbo[6]helicene results in organometallic helicenes (2 a,b) that display strong chiroptical activity…”
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Choosing RASSCF orbital active spaces for multiple electronic states by Krausbeck, Florian, Mendive-Tapia, David, Thom, Alex J.W., Bearpark, Michael J.

“…[Display omitted] •A semi-automatic procedure for generating RASSCF active spaces is presented.•Based on a novel method for locating multiple SCF…”
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A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds by 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

“…The peptide bond, the defining feature of proteins, governs peptide chemistry by abolishing nucleophilicity of the nitrogen. This and the planarity of the…”
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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 by 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

“…Introducing one or two alkynyl-iron moieties onto a carbo[6]helicene results in organometallic helicenes (2 a,b) that display strong chiroptical activity…”
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