Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics-Reference-Cited by-同舟云学术

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Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics

Published:2014-04-07 Issue:13 Volume:140 Page:134105
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Deyne Andy Van Yperen-De,De Meyer Thierry,Pauwels Ewald,Ghysels An,De Clerck Karen,Waroquier Michel,Van Speybroeck Veronique,Hemelsoet Karen

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4869937

Reference51 articles.

1. Integrated computational strategies for UV/vis spectra of large molecules in solution

2. Theoretical multilevel approach for studying the photophysical properties of organic dyes in solution

3. Investigating the Halochromic Properties of Azo Dyes in an Aqueous Environment by Using a Combined Experimental and Theoretical Approach

4. Identification of Intermediates in Zeolite‐Catalyzed Reactions by In Situ UV/Vis Microspectroscopy and a Complementary Set of Molecular Simulations

5. Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems

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1. Targeted regulation of pulsed electric field (PEF) treatment on responsive amino acids based on the molecular dynamic simulation;Innovative Food Science & Emerging Technologies;2022-12

2. Efficiently Calculating Anharmonic Frequencies of Molecular Vibration by Molecular Dynamics Trajectory Analysis;ACS Omega;2019-05-28

3. How Parallel Are Excited State Potential Energy Surfaces from Time-Independent and Time-Dependent DFT? A BODIPY Dye Case Study;The Journal of Physical Chemistry A;2016-10-06

4. Vibrational fingerprint of the absorption properties of UiO-type MOF materials;Theoretical Chemistry Accounts;2016-03-25

5. Understanding Intrinsic Light Absorption Properties of UiO-66 Frameworks: A Combined Theoretical and Experimental Study;Inorganic Chemistry;2015-11-05

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