Sun H - Search Results

1

Charge-Transfer Versus Charge-Transfer-Like Excitations Revisited.

Moore B 2nd, Sun H, Govind N, Kowalski K, Autschbach J. Moore B 2nd, et al. Among authors: sun h. J Chem Theory Comput. 2015 Jul 14;11(7):3305-20. doi: 10.1021/acs.jctc.5b00335. Epub 2015 Jun 17. J Chem Theory Comput. 2015. PMID: 26575765

2

Influence of the delocalization error and applicability of optimal functional tuning in density functional calculations of nonlinear optical properties of organic donor-acceptor chromophores.

Sun H, Autschbach J. Sun H, et al. Chemphyschem. 2013 Aug 5;14(11):2450-61. doi: 10.1002/cphc.201300256. Epub 2013 Jun 11. Chemphyschem. 2013. PMID: 23757093

3

Electronic Energy Gaps for π-Conjugated Oligomers and Polymers Calculated with Density Functional Theory.

Sun H, Autschbach J. Sun H, et al. J Chem Theory Comput. 2014 Mar 11;10(3):1035-47. doi: 10.1021/ct4009975. J Chem Theory Comput. 2014. PMID: 26580181

4

Ionization Energies, Electron Affinities, and Polarization Energies of Organic Molecular Crystals: Quantitative Estimations from a Polarizable Continuum Model (PCM)-Tuned Range-Separated Density Functional Approach.

Sun H, Ryno S, Zhong C, Ravva MK, Sun Z, Körzdörfer T, Brédas JL. Sun H, et al. Among authors: sun z. J Chem Theory Comput. 2016 Jun 14;12(6):2906-16. doi: 10.1021/acs.jctc.6b00225. Epub 2016 May 26. J Chem Theory Comput. 2016. PMID: 27183355

5

Reliable Prediction with Tuned Range-Separated Functionals of the Singlet-Triplet Gap in Organic Emitters for Thermally Activated Delayed Fluorescence.

Sun H, Zhong C, Brédas JL. Sun H, et al. J Chem Theory Comput. 2015 Aug 11;11(8):3851-8. doi: 10.1021/acs.jctc.5b00431. Epub 2015 Jul 20. J Chem Theory Comput. 2015. PMID: 26574466

6

Electronic structures and binding motifs of sodium polysulfide clusters NaS_n ^- (n = 5-9): A joint negative ion photoelectron spectroscopy and computational investigation.

Li Z, Hu Z, Jiang Y, Yuan Q, Sun H, Wang XB, Sun Z. Li Z, et al. Among authors: sun z, sun h. J Chem Phys. 2019 Jun 28;150(24):244305. doi: 10.1063/1.5100733. J Chem Phys. 2019. PMID: 31255059

7

Applicability of optimal functional tuning in density functional calculations of ionization potentials and electron affinities of adenine-thymine nucleobase pairs and clusters.

Sun H, Zhang S, Sun Z. Sun H, et al. Among authors: sun z. Phys Chem Chem Phys. 2015 Feb 14;17(6):4337-45. doi: 10.1039/c4cp05470a. Phys Chem Chem Phys. 2015. PMID: 25580006

8

Theoretical study of excited states of DNA base dimers and tetramers using optimally tuned range-separated density functional theory.

Sun H, Zhang S, Zhong C, Sun Z. Sun H, et al. Among authors: sun z. J Comput Chem. 2016 Mar 15;37(7):684-93. doi: 10.1002/jcc.24266. Epub 2015 Dec 15. J Comput Chem. 2016. PMID: 26666212

9

Prediction of excited-state properties of oligoacene crystals using polarizable continuum model-tuned range-separated hybrid functional approach.

Hu Z, Zhou B, Sun Z, Sun H. Hu Z, et al. Among authors: sun z, sun h. J Comput Chem. 2017 Apr 5;38(9):569-575. doi: 10.1002/jcc.24736. Epub 2017 Jan 19. J Comput Chem. 2017. PMID: 28101898

10

Donor Engineering for NIR-II Molecular Fluorophores with Enhanced Fluorescent Performance.

Yang Q, Hu Z, Zhu S, Ma R, Ma H, Ma Z, Wan H, Zhu T, Jiang Z, Liu W, Jiao L, Sun H, Liang Y, Dai H. Yang Q, et al. Among authors: sun h. J Am Chem Soc. 2018 Feb 7;140(5):1715-1724. doi: 10.1021/jacs.7b10334. Epub 2018 Jan 27. J Am Chem Soc. 2018. PMID: 29337545

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

32,485 results

Search Page

Filters