The Simulation of UV-Vis Spectroscopy with Computational Methods

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The Simulation of UV-Vis Spectroscopy with Computational Methods

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wetenschappelijk artikel

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наукова стаття, опублікована в жовтні 2010

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The Simulation of UV-Vis Spectroscopy with Computational Methods

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The Simulation of UV-Vis Spectroscopy with Computational Methods

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The Simulation of UV-Vis Spectroscopy with Computational Methods

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The Simulation of UV-Vis Spectroscopy with Computational Methods

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The Simulation of UV-Vis Spectroscopy with Computational Methods

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The Simulation of UV-Vis Spectroscopy with Computational Methods

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P1476

The Simulation of UV-Vis Spectroscopy with Computational Methods

@en

P2860

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How to model solvation of peptides? Insights from a quantum-mechanical and molecular dynamics study of N-methylacetamide. 1. Geometries, infrared, and ultraviolet spectra in water.

How to model solvation of peptides? Insights from a quantum mechanical and molecular dynamics study of N-methylacetamide. 2. 15N and 17O nuclear shielding in water and in acetone.

Time-dependent density functional theory.

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Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics.

Single-reference ab initio methods for the calculation of excited states of large molecules.

P304

151-171

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P31

scholarly article

P356

10.1002/9783527633272.CH5

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P50

Benedetta Mennucci

P577

2010-10-11T00:00:00Z

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