Spectroscopy in Complex Environments from QM-MM Simulations

The applications of multiscale quantum-classical (QM-MM) approaches have shown an extraordinary expansion and diversification in the last couple of decades. A great proportion of these efforts have been devoted to interpreting and reproducing spectroscopic experiments in a variety of complex environ...

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Detalles Bibliográficos
Autores principales: Morzan, U.N., Alonso De Armiño, D.J., Foglia, N.O., Ramírez, F., González Lebrero, M.C., Scherlis, D.A., Estrin, D.A.
Formato: JOUR
Materias:
Biology
Nuclear magnetic resonance
Spectroscopic analysis
Complex environments
Computational spectroscopy
Historical evolutions
Multi-scale
Predictive power
Quantum-classical
Ssbauer spectroscopies
State of the art
Paramagnetic resonance
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00092665_v118_n7_p4071_Morzan
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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