Quantum-Classical Calculation of Vibronic Spectra along a Reaction Path: The Case of the ECD of Easily Interconvertible Conformers with Opposite Chiral Responses-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Quantum-Classical Calculation of Vibronic Spectra along a Reaction Path: The Case of the ECD of Easily Interconvertible Conformers with Opposite Chiral Responses

Published:2016-11-17 Issue:23 Volume:7 Page:4891-4897
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Cerezo Javier¹,Mazzeo Giuseppe²,Longhi Giovanna²,Abbate Sergio²,Santoro Fabrizio¹

Affiliation:

1. CNR−Consiglio Nazionale delle Ricerche, Istituto di Chimica dei Composti Organo Metallici (ICCOM-CNR), SS di Pisa, Area della Ricerca, via G. Moruzzi 1, I-56124 Pisa, Italy

2. Dipartimento di Medicina Molecolare e Traslazionale, Università di Brescia, Viale Europa 11, I-25123 Brescia, Italy

Funder

Fundaci?n Ram?n Areces

Ministero dell?Istruzione, dell?Universit? e della Ricerca

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.6b02484

Reference51 articles.

1. Comparing classical approaches with empirical or quantum-mechanically derived force fields for the simulation electronic lineshapes: application to coumarin dyes

2. Absorption and Emission Spectral Shapes of a Prototype Dye in Water by Combining Classical/Dynamical and Quantum/Static Approaches

3. Biczysko, M.; Bloino, J.; Santoro, F.; Barone, V.InComputational Strategies for Spectroscopy;Barone, V., Ed.John Wiley & Sons, Inc., 2011; Chapter 8, pp361–443.

4. Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution

5. Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg–Teller effect: The Qx band of porphyrin as a case study

Cited by 19 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Photophysics of a nucleic acid–protein crosslinking model strongly depends on solvation dynamics: an experimental and theoretical study;Physical Chemistry Chemical Physics;2024

2. Effect of choosing coordinate systems on computationally predicting nonradiative transition rates of flexible thermally activated delayed fluorescence molecules;Bulletin of the Korean Chemical Society;2023-10-26

3. FCclasses3 : Vibrationally‐resolved spectra simulated at the edge of the harmonic approximation;Journal of Computational Chemistry;2022-11-15

4. Computational Model for Electrochemical Surface-Enhanced Raman Scattering: Key Role of the Surface Charges and Synergy between Electromagnetic and Charge-Transfer Enhancement Mechanisms;Journal of Chemical Theory and Computation;2022-10-12

5. Ultrafast photo-induced processes in complex environments: The role of accuracy in excited-state energy potentials and initial conditions;Chemical Physics Reviews;2022-06

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号京ICP备18003416号-3