Ultraviolet resonance Raman spectroscopy of anthracene: Experiment and theory

[1]  S. Kalenskii,et al.  Detection of two interstellar polycyclic aromatic hydrocarbons via spectral matched filtering , 2021, Science.

[2]  T. Schrader,et al.  Prospects of ultraviolet resonance Raman spectroscopy in supramolecular chemistry on proteins. , 2021, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

[3]  J. Voskuhl,et al.  Ultraviolet resonance Raman spectroscopy with a continuously tunable picosecond laser: Application to the supramolecular ligand guanidiniocarbonyl pyrrole (GCP). , 2020, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

[4]  J. Voskuhl,et al.  UV resonance Raman spectroscopy of the supramolecular ligand guanidiniocarbonyl indole (GCI) with 244 nm laser excitation , 2020, Beilstein journal of organic chemistry.

[5]  K. Baldridge,et al.  Generalized Analytic Approach for Determination of Multidimensional Franck-Condon Factors: Simulated Photoelectron Spectra of Polynuclear Aromatic Hydrocarbons. , 2020, Journal of chemical theory and computation.

[6]  A. Scemama,et al.  The Quest For Highly Accurate Excitation Energies: A Computational Perspective. , 2020, The journal of physical chemistry letters.

[7]  V. Barone,et al.  Accuracy and Interpretability: The Devil and the Holy Grail. New Routes across Old Boundaries in Computational Spectroscopy. , 2019, Chemical reviews.

[8]  P. Sokkar,et al.  Molecular recognition of carboxylates in the protein leucine zipper by a multivalent supramolecular ligand: residue-specific, sensitive and label-free probing by UV resonance Raman spectroscopy. , 2018, Physical chemistry chemical physics : PCCP.

[9]  Diana E. Schlamadinger,et al.  Insights into Protein Structure and Dynamics by Ultraviolet and Visible Resonance Raman Spectroscopy. , 2015, Biochemistry.

[10]  Can Li,et al.  UV Raman Spectroscopic Characterization of Catalysts and Catalytic Active Sites , 2015, Catalysis Letters.

[11]  J. Bloino A VPT2 route to near-infrared spectroscopy: the role of mechanical and electrical anharmonicity. , 2015, The journal of physical chemistry. A.

[12]  Vincenzo Barone,et al.  A general time-dependent route to resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects. , 2014, The Journal of chemical physics.

[13]  H. Steinhoff,et al.  Towards label-free and site-specific probing of the local pH in proteins: pH-dependent deep UV Raman spectra of histidine and tyrosine , 2014 .

[14]  V. Barone,et al.  A robust and effective time-independent route to the calculation of Resonance Raman spectra of large molecules in condensed phases with the inclusion of Duschinsky, Herzberg-Teller, anharmonic, and environmental effects. , 2014, Journal of chemical theory and computation.

[15]  Vincenzo Barone,et al.  General Time Dependent Approach to Vibronic Spectroscopy Including Franck-Condon, Herzberg-Teller, and Duschinsky Effects. , 2013, Journal of chemical theory and computation.

[16]  Igor K Lednev,et al.  UV resonance Raman investigations of peptide and protein structure and dynamics. , 2012, Chemical reviews.

[17]  V. Barone,et al.  A second-order perturbation theory route to vibrational averages and transition properties of molecules: general formulation and application to infrared and vibrational circular dichroism spectroscopies. , 2012, The Journal of chemical physics.

[18]  V. Barone,et al.  General Perturbative Approach for Spectroscopy, Thermodynamics, and Kinetics: Methodological Background and Benchmark Studies. , 2012, Journal of chemical theory and computation.

[19]  J. Huh,et al.  Application of time-independent cumulant expansion to calculation of Franck-Condon profiles for large molecular systems. , 2011, Faraday discussions.

[20]  Beijing Wu,et al.  Tryptophan-lipid interactions in membrane protein folding probed by ultraviolet resonance Raman and fluorescence spectroscopy. , 2011, Biophysical journal.

[21]  V. Barone,et al.  Effective Time-Independent Calculations of Vibrational Resonance Raman Spectra of Isolated and Solvated Molecules Including Duschinsky and Herzberg-Teller Effects. , 2011, Journal of chemical theory and computation.

[22]  Hannes Y. Kuchelmeister,et al.  Quantitative, label-free and site-specific monitoring of molecular recognition: a multivariate resonance Raman approach. , 2011, Chemical communications.

[23]  Vincenzo Barone,et al.  General Approach to Compute Vibrationally Resolved One-Photon Electronic Spectra , 2010 .

[24]  Alexander G. G. M. Tielens,et al.  Interstellar Polycyclic Aromatic Hydrocarbon Molecules , 2008 .

[25]  V. Barone,et al.  Integrated computational approach to vibrationally resolved electronic spectra: anisole as a test case. , 2008, The Journal of chemical physics.

[26]  V. Barone,et al.  Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg-Teller effect: the Qx band of porphyrin as a case study. , 2008, The Journal of chemical physics.

[27]  S. Srivastava,et al.  UV resonance Raman spectroscopic monitoring of supramolecular complex formation: peptide recognition in aqueous solution. , 2007, Physical Chemistry, Chemical Physics - PCCP.

[28]  V. Barone,et al.  Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution. , 2007, The Journal of chemical physics.

[29]  G. Schatz,et al.  Theory and method for calculating resonance Raman scattering from resonance polarizability derivatives. , 2005, The Journal of chemical physics.

[30]  J. Tomasi,et al.  Quantum mechanical continuum solvation models. , 2005, Chemical reviews.

[31]  S. Grimme,et al.  An efficient approach for the calculation of Franck-Condon integrals of large molecules. , 2005, The Journal of chemical physics.

[32]  Stefan Grimme,et al.  Density functional calculations of the vibronic structure of electronic absorption spectra. , 2004, The Journal of chemical physics.

[33]  Vincenzo Barone,et al.  Vibrational zero-point energies and thermodynamic functions beyond the harmonic approximation. , 2004, The Journal of chemical physics.

[34]  Derek A. Long,et al.  The Raman Effect , 2002 .

[35]  Jacopo Tomasi,et al.  A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics , 1997 .

[36]  R. Mathies,et al.  Time-resolved ultraviolet resonance Raman studies of protein structure: application to bacteriorhodopsin. , 1992, Biochemistry.

[37]  Thomas G. Spiro,et al.  Ultraviolet resonance Raman spectroscopy of DNA with 200-266-nm laser excitation , 1986 .

[38]  Thomas G. Spiro,et al.  Ultraviolet resonance Raman spectroscopy of the nucleotides with 266-, 240-, 218-, and 200-nm pulsed laser excitation , 1985 .

[39]  Sanford A. Asher,et al.  UV resonance Raman spectroscopy of the aromatic amino acids and myoglobin , 1984 .

[40]  S. Asher Ultraviolet resonance Raman spectrometry for detection and speciation of trace polycyclic aromatic hydrocarbons , 1984 .

[41]  S. Asher,et al.  Development of a new UV resonance Raman spectrometer for the 217–400‐nm spectral region , 1983 .

[42]  S. Montero Anharmonic Raman intensities of overtones, combination and difference bands , 1982 .

[43]  P. Turpin,et al.  Poly(dA‐dT) complexes with histone H1 and pancreatic ribonuclease: Specific base recognition evidenced by ultraviolet resonance Raman spectroscopy , 1982, Biopolymers.

[44]  A. C. Albrecht On the Theory of Raman Intensities , 1961 .

[45]  Sanford A. Asher,et al.  UV Resonance Raman Spectroscopy for Analytical, Physical, and Biophysical Chemistry , 1993 .