DFT/TDDFT Study on Spectra of Peptides

Yun-fan YANG; Jian-bo HU; Yong-gang LIU; Qiang-qiang LIU; Hang ZHANG; Jian-jie XU; Teng-xiao GUO

doi:10.3964/j.issn.1000-0593(2021)10-3172-06

Spectroscopy and Spectral Analysis, Volume. 41, Issue 10, 3172(2021)

DFT/TDDFT Study on Spectra of Peptides

Yun-fan YANG^1、*, Jian-bo HU^1、1;, Yong-gang LIU^{1、1; 2; *;}, Qiang-qiang LIU^3、3;, Hang ZHANG^4、4;, Jian-jie XU^5、5;, and Teng-xiao GUO^5、5;

Author Affiliations

¹1. State Key Laboratory of Environment-Friendly Energy Materials, Southwest University of Science and Technology, Mianyang 621010, China

³3. School of Chemistry and Environmental Engineering, Sichuan University of Science & Engineering, Zigong 643002, China

⁴4. Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621900, China

⁵5. State Key Laboratory of NBC Protection for Civilian, Beijing 102205, China

show less

Abstract Get PDF(in Chinese)

References(13)

[2] Taotao Fan, Bing Shen, Xiaofan Yu. Journal of Nanomaterials, 2017, 1(2017).

[3] Signore Giovanni, R Macchi S N, G Signore et al. Physical Chemistry Chemical Physics, 19, 23910(2017).

[4] J Cohen A, P Mori-Sánchez, W Yang. Chemical Reviews, 112, 289(2011).

[5] C Adamo, D Jacquemin. Chemical Society Reviews, 42, 845(2013).

[6] C Bannwarth, S Grimme. The Journal of Chemical Physics, 145, 054103(2016).

[7] Boo Bong Hyun, Ryu Minjoong, Ryu Su Young et al. The Journal of Physical Chemistry A, 114, 8969(2010).

[8] J Dai, M L McKee, A Samokhvalov. The Journal of Physical Chemistry C, 119, 2491(2015).

[9] S Ehrlich, L Goerigk, S Grimme. Journal of Computational Chemistry, 32, 1456(2011).

[10] F Neese. WIREs Computational Molecular Science, 8, e1327(2017).

[11] A Dreuw, M Head-Gordon. Chemical Reviews, 105, 4009(2005).

[12] F Chen, T Lu. Journal of Computational Chemistry, 33, 580(2012).

[13] M Dierksen, S Grimme. The Journal of Physical Chemistry A, 108, 10225(2004).

[14] H Gattuso, M Marazzi, A Monari. Theoretical Chemistry Accounts, 135, 57(2016).

Tools

Get Citation

Copy Citation Text

Yun-fan YANG, Jian-bo HU, Yong-gang LIU, Qiang-qiang LIU, Hang ZHANG, Jian-jie XU, Teng-xiao GUO. DFT/TDDFT Study on Spectra of Peptides[J]. Spectroscopy and Spectral Analysis, 2021, 41(10): 3172

Download Citation

EndNote(RIS)BibTex Plain Text

Set citation alerts for article

Save article for my favorites

Paper Information

Category: Research Articles

Received: Oct. 9, 2020

Accepted: --

Published Online: Oct. 29, 2021

The Author Email: YANG Yun-fan (18281635818@163.com)

DOI:10.3964/j.issn.1000-0593(2021)10-3172-06

Topics

laser devices and laser physics

Lasers and Laser Optics

Laser physics

laser manufacturing

Instrumentation, Measurement and Metrology