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.
8. Bond order bond polarizability model for fullerene cages and nanotubes. Hu YH; Ruckenstein E J Chem Phys; 2005 Dec; 123(21):214708. PubMed ID: 16356062 [TBL] [Abstract][Full Text] [Related]
9. Efficient approach to time-dependent density-functional perturbation theory for optical spectroscopy. Walker B; Saitta AM; Gebauer R; Baroni S Phys Rev Lett; 2006 Mar; 96(11):113001. PubMed ID: 16605817 [TBL] [Abstract][Full Text] [Related]
10. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007). Hafner J J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862 [TBL] [Abstract][Full Text] [Related]
11. Calculation of static and dynamic linear magnetic response in approximate time-dependent density functional theory. Krykunov M; Autschbach J J Chem Phys; 2007 Jan; 126(2):024101. PubMed ID: 17228937 [TBL] [Abstract][Full Text] [Related]
12. A density matrix-based method for the linear-scaling calculation of dynamic second- and third-order properties at the Hartree-Fock and Kohn-Sham density functional theory levels. Kussmann J; Ochsenfeld C J Chem Phys; 2007 Nov; 127(20):204103. PubMed ID: 18052415 [TBL] [Abstract][Full Text] [Related]
13. Size evolution study of "molecular" and "atom-in-cluster" polarizabilities of medium-size gold clusters. Rodríguez JI; Autschbach J; Castillo-Alvarado FL; Baltazar-Méndez MI J Chem Phys; 2011 Jul; 135(3):034109. PubMed ID: 21786989 [TBL] [Abstract][Full Text] [Related]
14. Ab initio studies of properties of small potassium clusters. Banerjee A; Ghanty TK; Chakrabarti A J Phys Chem A; 2008 Dec; 112(48):12303-11. PubMed ID: 18998655 [TBL] [Abstract][Full Text] [Related]
15. DL_MG: A Parallel Multigrid Poisson and Poisson-Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution. Womack JC; Anton L; Dziedzic J; Hasnip PJ; Probert MIJ; Skylaris CK J Chem Theory Comput; 2018 Mar; 14(3):1412-1432. PubMed ID: 29447447 [TBL] [Abstract][Full Text] [Related]
16. Linear-scaling calculation of static and dynamic polarizabilities in Hartree-Fock and density functional theory for periodic systems. Izmaylov AF; Brothers EN; Scuseria GE J Chem Phys; 2006 Dec; 125(22):224105. PubMed ID: 17176132 [TBL] [Abstract][Full Text] [Related]
17. Linear-response theory for Mukherjee's multireference coupled-cluster method: static and dynamic polarizabilities. Jagau TC; Gauss J J Chem Phys; 2012 Jul; 137(4):044115. PubMed ID: 22852605 [TBL] [Abstract][Full Text] [Related]
19. Effects of Na+ and Mg2+ on the structures of supercoiled DNAs: comparison of simulations with experiments. Gebe JA; Delrow JJ; Heath PJ; Fujimoto BS; Stewart DW; Schurr JM J Mol Biol; 1996 Sep; 262(2):105-28. PubMed ID: 8831783 [TBL] [Abstract][Full Text] [Related]
20. Accurate and Efficient Prediction of Post-Hartree-Fock Polarizabilities of Condensed-Phase Systems. Zhao D; Zhao Y; He X; Li Y; Ayers PW; Liu S J Chem Theory Comput; 2023 Sep; 19(18):6461-6470. PubMed ID: 37676647 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]