Disentangling Peptide Configurations via Two-Dimensional Electronic Spectroscopy: Ab Initio Simulations Beyond the Frenkel Exciton Hamiltonian
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Giulio Cerullo | Marco Garavelli | Shaul Mukamel | Artur Nenov | Ivan Rivalta | S. Mukamel | G. Cerullo | I. Rivalta | M. Garavelli | A. Nenov
[1] A. Tortschanoff,et al. Photon echo peak shift experiments in the UV: p-terphenyl in different solvents , 2008 .
[2] S. Mukamel,et al. Multidimensional femtosecond correlation spectroscopies of electronic and vibrational excitations. , 2000, Annual review of physical chemistry.
[3] J. M. Womick,et al. Probing ultrafast dynamics in adenine with mid-UV four-wave mixing spectroscopies. , 2011, The journal of physical chemistry. A.
[4] K. Yoshihara,et al. Nanosecond laser photolysis of the benzene monomer and eximer , 1980 .
[5] Monitoring the folding of Trp-cage peptide by two-dimensional infrared (2DIR) spectroscopy. , 2013, The journal of physical chemistry. B.
[6] Andrew M. Moran,et al. Two-Dimensional Electronic Spectroscopy in the Ultraviolet Wavelength Range. , 2012, The journal of physical chemistry letters.
[7] Yu Zhang,et al. Multidimensional attosecond resonant X-ray spectroscopy of molecules: lessons from the optical regime. , 2013, Annual review of physical chemistry.
[8] Manuela Merchán,et al. Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions , 1995 .
[9] Marco Garavelli,et al. A tunable QM/MM approach to chemical reactivity, structure and physico-chemical properties prediction , 2007 .
[10] K. P. Lawley,et al. Ab initio methods in quantum chemistry , 1987 .
[11] S. Mukamel,et al. Simulation protocols for coherent femtosecond vibrational spectra of peptides. , 2006, The journal of physical chemistry. B.
[12] Benjamin M. Bulheller,et al. Ultraviolet spectroscopy of protein backbone transitions in aqueous solution: combined QM and MM simulations. , 2010, The journal of physical chemistry. B.
[13] FRANCESCO AQUILANTE,et al. MOLCAS 7: The Next Generation , 2010, J. Comput. Chem..
[14] Marcus Beutler,et al. Generation of high-energy sub-20 fs pulses tunable in the 250-310 nm region by frequency doubling of a high-power noncollinear optical parametric amplifier. , 2009, Optics letters.
[15] Darius Abramavicius,et al. Coherent Multidimensional Optical Spectroscopy of Excitons in Molecular Aggregates; Quasiparticle versus Supermolecule Perspectives , 2009 .
[16] Katia Manova-Todorova,et al. Picosecond dynamics of a membrane protein revealed by 2 D IR , 2006 .
[17] P. Hamm,et al. Watching hydrogen-bond dynamics in a β-turn by transient two-dimensional infrared spectroscopy , 2006, Nature.
[18] Prabuddha Mukherjee,et al. Picosecond dynamics of a membrane protein revealed by 2D IR. , 2006, Proceedings of the National Academy of Sciences of the United States of America.
[19] Per-Olof Widmark,et al. Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions , 1990 .
[20] George C. Schatz,et al. The journal of physical chemistry letters , 2009 .
[21] G A Petsko,et al. Aromatic-aromatic interaction: a mechanism of protein structure stabilization. , 1985, Science.
[22] R. Hochstrasser,et al. STRUCTURE OF THE AMIDE I BAND OF PEPTIDES MEASURED BY FEMTOSECOND NONLINEAR-INFRARED SPECTROSCOPY , 1998 .
[23] S. Mukamel,et al. The coupled electronic oscillators vs the sum‐over‐states pictures for the optical response of octatetraene , 1996 .
[24] S. Mukamel,et al. Probing amyloid fibril growth by two-dimensional near-ultraviolet spectroscopy. , 2011, The journal of physical chemistry. B.
[25] S. Matsika,et al. Two-dimensional ultrafast fourier transform spectroscopy in the deep ultraviolet. , 2009, Optics express.
[26] Kerstin Andersson,et al. Second-order perturbation theory with a CASSCF reference function , 1990 .
[27] P. Weber,et al. Ultrafast Dynamics in Superexcited States of Phenol , 2001 .
[28] S. Mukamel,et al. Two-dimensional near-ultraviolet spectroscopy of aromatic residues in amyloid fibrils: a first principles study. , 2011, Physical chemistry chemical physics : PCCP.
[29] Giulio Cerullo,et al. Ab Initio Simulations of Two-Dimensional Electronic Spectra: The SOS//QM/MM Approach , 2014 .
[30] Martin T. Zanni,et al. Concepts and Methods of 2D Infrared Spectroscopy , 2011 .