Literature DB >> 26592883

Infrared Spectroscopy of Fluxional Molecules from (ab Initio) Molecular Dynamics: Resolving Large-Amplitude Motion, Multiple Conformations, and Permutational Symmetries.

Gerald Mathias1, Sergei D Ivanov1, Alexander Witt1, Marcel D Baer1, Dominik Marx1.   

Abstract

Year:  2011        PMID： 26592883     DOI： 10.1021/ct2006665

Source DB:  PubMed          Journal:  J Chem Theory Comput        ISSN： 1549-9618            Impact factor:   6.006


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  4 in total

1.  Tagging effects on the mid-infrared spectrum of microsolvated protonated methane.

Authors:  Alexander Esser; Harald Forbert; Dominik Marx
Journal:  Chem Sci       Date:  2017-12-21       Impact factor: 9.825

2.  Protonated glycine supramolecular systems: the need for quantum dynamics.

Authors:  Fabio Gabas; Giovanni Di Liberto; Riccardo Conte; Michele Ceotto
Journal:  Chem Sci       Date:  2018-09-17       Impact factor: 9.825

Review 3.  Gas-Phase Infrared Spectroscopy of Neutral Peptides: Insights from the Far-IR and THz Domain.

Authors:  Sjors Bakels; Marie-Pierre Gaigeot; Anouk M Rijs
Journal:  Chem Rev       Date:  2020-02-19       Impact factor: 60.622

4.  Vibrational Circular Dichroism from DFT Molecular Dynamics: The AWV Method.

Authors:  Daria Ruth Galimberti
Journal:  J Chem Theory Comput       Date:  2022-09-16       Impact factor: 6.578
  4 in total

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