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Subject : chemical engineering Subject : chemical physics Subject : protein structure Subject : ultraviolet Subject : wavefunction methods فلترة بواسطة : مؤلف
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Academic Journal

Tracking Conformational Dynamics of Polypeptides by Nonlinear Electronic Spectroscopy of Aromatic Residues: A First‐Principles Simulation Study

Subjects: Bioengineering; Molecular Dynamics Simulation; Protein Denaturation

  • Source: ChemPhysChem. 15(15)

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Academic Journal

Disentangling Peptide Configurations via Two-Dimensional Electronic Spectroscopy: Ab Initio Simulations Beyond the Frenkel Exciton Hamiltonian.

Subjects: aromatic amino acid side chains; multiconfigurational methods; protein structure

  • Source: The journal of physical chemistry letters. 5(4)

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Academic Journal

Ab initio simulations of two‐dimensional electronic spectra: The SOS//QM/MM approach

Subjects: Bioengineering; Networking and Information Technology R&D (NITRD); 1.1 Normal biological development and functioning

  • Source: International Journal of Quantum Chemistry. 114(2)

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Academic Journal

Ultraviolet vision: photophysical properties of the unprotonated retinyl Schiff base in the Siberian hamster cone pigment.

Subjects: SCHIFF bases; TIME-dependent density functional theory; MELANOPSIN

  • Source: Theoretical Chemistry Accounts: Theory, Computation, & Modeling; Apr2016, Vol. 135 Issue 4, p1-10, 10p

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Spectroscopic fingerprints of DNA/RNA pyrimidine nucleobases in third-order nonlinear electronic spectra

Subjects: Pyrimidine; Electronic excited states; Electronic excited state

  • Source: Theoretical Chemistry Accounts: Theory, Computation, and ModelingTheoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2016, 135 (5), pp.121.

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