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Chemistry

D-Index
54
Citations
9514
World Ranking
12699
National Ranking
59

Overview

Petr Bouř is affiliated with the Czech Academy of Sciences in the Czech Republic. Their research primarily focuses on chemistry, with a significant concentration on molecular spectroscopy and chirality. The scientist's work encompasses the application of advanced spectroscopic methods and quantum chemical studies to investigate molecular structures and interactions.

Their main fields of study include:

  • Chemistry

Key subfields of their research are:

  • Spectroscopy
  • Atomic and Molecular Physics, and Optics
  • Molecular Biology
  • Materials Chemistry
  • Cellular and Molecular Neuroscience

The research topics Petr Bouř has explored cover:

  • Molecular spectroscopy and chirality
  • Spectroscopy and Quantum Chemical Studies
  • Photoreceptor and optogenetics research
  • Crystallization and Solubility Studies
  • X-ray Diffraction in Crystallography
  • Spectroscopy Techniques in Biomedical and Chemical Research
  • Gold and Silver Nanoparticles Synthesis and Applications

The scientist has published extensively in notable venues, with frequent contributions to:

  • Angewandte Chemie International Edition
  • Angewandte Chemie
  • The Cambridge Structural Database
  • Physical Chemistry Chemical Physics
  • ChemPlusChem

Selected recent papers include:

  • Enantiomeric Discrimination by Surface-Enhanced Raman Scattering-Chiral Anisotropy of Chiral Nanostructured Gold Films, 2020, Angewandte Chemie International Edition
  • Recent Trends in Chiroptical Spectroscopy: Theory and Applications of Vibrational Circular Dichroism and Raman Optical Activity, 2020, ChemPlusChem
  • Two Spectroscopies in One: Interference of Circular Dichroism and Raman Optical Activity, 2020, Angewandte Chemie International Edition
  • Simulation of Raman and Raman optical activity of saccharides in solution, 2020, Physical Chemistry Chemical Physics
  • Influence of Lipid Membranes on α-Synuclein Aggregation, 2021, ACS Chemical Neuroscience

The scientist's collaboration network includes frequent coauthors:

  • Josef Kapitán
  • Jiří Kessler
  • Tao Wu
  • Jaroslav Šebestı́k
  • Jana Hudecová

Best Publications

  • Transfer of molecular property tensors in cartesian coordinates: A new algorithm for simulation of vibrational spectra

    Petr Bour;Jana Sopkova;Lucie Bednarova;Petr Malon

  • Empirical modeling of the peptide amide I band IR intensity in water solution

    Petr Bouř;Timothy A. Keiderling

  • Site-specific conformational determination in thermal unfolding studies of helical peptides using vibrational circular dichroism with isotopic substitution.

    R. A. G. D. Silva;Jan Kubelka;Petr Bour;Sean M. Decatur

  • Partial optimization of molecular geometry in normal coordinates and use as a tool for simulation of vibrational spectra

    Petr Bouř;Timothy A. Keiderling

  • Gauge-Origin Independent Density-Functional Theory Calculations of Vibrational Raman Optical Activity

    Kenneth Ruud;Trygve Helgaker;Petr Bour

  • Computational Analysis of Solvent Effects in NMR Spectroscopy

    Martin Dračínský;Petr Bouř

  • Ab Initio Simulations of the Vibrational Circular Dichroism of Coupled Peptides

    Petr Bour;Timothy A. Keiderling

  • Ab initio quantum mechanical models of peptide helices and their vibrational spectra.

    Petr Bour;Jan Kubelka;Timothy A. Keiderling

  • Vibrational spectral simulation for peptides of mixed secondary structure : Method comparisons with the trpzip model hairpin

    Petr Bour;Timothy A Keiderling

  • Enantiomeric Discrimination by Surface‐Enhanced Raman Scattering‐Chiral Anisotropy of Chiral Nanostructured Gold Films

    Zexi Liu;Jing Ai;Prashant Kumar;Enming You

  • Vibrational Circular Dichroism of 1,1‘-Binaphthyl Derivatives: Experimental and Theoretical Study

    Vladimír Setnička;Marie Urbanová;Petr Bouř;and Vladimír Král

  • Through-space transfer of chiral information mediated by a plasmonic nanomaterial

    Saeideh Ostovar pour;Louise Rocks;Karen Faulds;Duncan Graham

  • Empirical solvent correction for multiple amide group vibrational modes

    Petr Bouř;David Michalík;Josef Kapitán

  • Explicit versus implicit solvent modeling of Raman optical activity spectra.

    Kathrin H. Hopmann;Kenneth Ruud;Magdalena Pecul;Magdalena Pecul;Andrzej Kudelski

  • Proline zwitterion dynamics in solution, glass, and crystalline state.

    Josef Kapitán;Vladimír Baumruk;Vladimír Kopecký;and Radek Pohl

  • Inspecting chiral molecules by Raman optical activity spectroscopy

    Václav Parchaňský;Václav Parchaňský;Josef Kapitán;Petr Bouř;Petr Bouř

  • Recent Trends in Chiroptical Spectroscopy: Theory and Applications of Vibrational Circular Dichroism and Raman Optical Activity

    Monika Krupová;Jiří Kessler;Petr Bouř

  • Applications of chiroptical spectroscopy to coordination compounds

    Tao Wu;Tao Wu;Xiao-Zeng You;Petr Bouř

  • Demonstration of the Ring Conformation in Polyproline by the Raman Optical Activity

    Unknown

  • Conformational Flexibility of <scp>l</scp>-Alanine Zwitterion Determines Shapes of Raman and Raman Optical Activity Spectral Bands

    Unknown

  • Temperature Dependence of NMR Parameters Calculated from Path Integral Molecular Dynamics Simulations

    Martin Dračínský;Petr Bouř;Paul Hodgkinson

  • Simulations of oligopeptide vibrational CD: effects of isotopic labeling.

    Petr Bour;Jan Kubelka;Timothy A. Keiderling

  • Ab Initio Modeling of Amide I Coupling in Antiparallel β-Sheets and the Effect of 13C Isotopic Labeling on Infrared Spectra

    Petr Bour;Timothy A. Keiderling

Frequent Co-Authors

Timothy A. Keiderling
Timothy A. Keiderling University of Illinois at Chicago
Vladimír Král
Vladimír Král University of Chemistry and Technology
Kenneth Ruud
Kenneth Ruud University of Tromsø - The Arctic University of Norway
Radek Marek
Radek Marek Central European Institute of Technology
Xiao-Zeng You
Xiao-Zeng You Nanjing University
Ewan W. Blanch
Ewan W. Blanch RMIT University
Malgorzata Baranska
Malgorzata Baranska Jagiellonian University
Alison Rodger
Alison Rodger Macquarie University
Jonathan Clayden
Jonathan Clayden University of Bristol
Shunai Che
Shunai Che Shanghai Jiao Tong University

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