These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
7. Thermally-assisted-occupation density functional theory with generalized-gradient approximations. Chai JD J Chem Phys; 2014 May; 140(18):18A521. PubMed ID: 24832329 [TBL] [Abstract][Full Text] [Related]
8. Effect of Oriented External Electric Fields on the Electronic Properties of Linear Acenes: A Thermally Assisted Occupation DFT Study. Chen CY; Chai JD Molecules; 2024 Sep; 29(17):. PubMed ID: 39275093 [TBL] [Abstract][Full Text] [Related]
9. Electronic Properties of Möbius Cyclacenes Studied by Thermally-Assisted-Occupation Density Functional Theory. Chung JH; Chai JD Sci Rep; 2019 Feb; 9(1):2907. PubMed ID: 30814641 [TBL] [Abstract][Full Text] [Related]
10. Electronic Properties of Zigzag Graphene Nanoribbons Studied by TAO-DFT. Wu CS; Chai JD J Chem Theory Comput; 2015 May; 11(5):2003-11. PubMed ID: 26894252 [TBL] [Abstract][Full Text] [Related]
11. Electronic Properties of Linear and Cyclic Boron Nanoribbons from Thermally-Assisted-Occupation Density Functional Theory. Seenithurai S; Chai JD Sci Rep; 2019 Aug; 9(1):12139. PubMed ID: 31431672 [TBL] [Abstract][Full Text] [Related]
16. TAO-DFT-Based Li S; Chai JD Front Chem; 2020; 8():589432. PubMed ID: 33251184 [TBL] [Abstract][Full Text] [Related]
17. Reformulation of thermally assisted-occupation density functional theory in the Kohn-Sham framework. Yeh SH; Yang W; Hsu CP J Chem Phys; 2022 May; 156(17):174108. PubMed ID: 35525641 [TBL] [Abstract][Full Text] [Related]
18. TAO-DFT investigation of electronic properties of linear and cyclic carbon chains. Seenithurai S; Chai JD Sci Rep; 2020 Aug; 10(1):13133. PubMed ID: 32753715 [TBL] [Abstract][Full Text] [Related]
19. Role of exact exchange in thermally-assisted-occupation density functional theory: A proposal of new hybrid schemes. Chai JD J Chem Phys; 2017 Jan; 146(4):044102. PubMed ID: 28147520 [TBL] [Abstract][Full Text] [Related]
20. Excitation energies from thermally assisted-occupation density functional theory: Theory and computational implementation. Yeh SH; Manjanath A; Cheng YC; Chai JD; Hsu CP J Chem Phys; 2020 Aug; 153(8):084120. PubMed ID: 32872866 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]