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.
3. Ab initio study of neutral (TiO2)n clusters and their interactions with water and transition metal atoms. Cakır D; Gülseren O J Phys Condens Matter; 2012 Aug; 24(30):305301. PubMed ID: 22763370 [TBL] [Abstract][Full Text] [Related]
4. Density functional calculations of the structural and electronic properties of (Y2O3)(n)(0,±1) clusters with n = 1-10. Rahane AB; Murkute PA; Deshpande MD; Kumar V J Phys Chem A; 2013 Jul; 117(26):5542-50. PubMed ID: 23734954 [TBL] [Abstract][Full Text] [Related]
5. Experimental and first-principles study of guanine adsorption on ZnO clusters. Chandraboss VL; Karthikeyan B; Senthilvelan S Phys Chem Chem Phys; 2014 Nov; 16(42):23461-75. PubMed ID: 25266048 [TBL] [Abstract][Full Text] [Related]
8. Structural evolution and stability of hydrogenated Li(n) (n = 1-30) clusters: a density functional study. Gautam S; Dharamvir K; Goel N J Phys Chem A; 2011 Jun; 115(24):6383-9. PubMed ID: 21568308 [TBL] [Abstract][Full Text] [Related]
9. First-principles study of static polarizability, first and second hyperpolarizabilities of small-sized ZnO clusters. Li L; Zhou Z; Wang X; Huang W; He Y; Yang M Phys Chem Chem Phys; 2008 Dec; 10(45):6829-35. PubMed ID: 19015787 [TBL] [Abstract][Full Text] [Related]
10. Exchange Functionals and Basis Sets for Density Functional Theory Studies of Water Splitting on Selected ZnO Nanocluster Catalysts. Perera DC; Rasaiah JC ACS Omega; 2022 Apr; 7(15):12556-12569. PubMed ID: 35474813 [TBL] [Abstract][Full Text] [Related]
11. Unraveling the structural stability and the electronic structure of ThO Aguirre NF; Jung J; Yang P Phys Chem Chem Phys; 2020 Sep; 22(33):18614-18621. PubMed ID: 32789326 [TBL] [Abstract][Full Text] [Related]
12. Phosphine passivated gold clusters: how charge transfer affects electronic structure and stability. Mollenhauer D; Gaston N Phys Chem Chem Phys; 2016 Nov; 18(43):29686-29697. PubMed ID: 27711516 [TBL] [Abstract][Full Text] [Related]
14. Electronic structure and stabilities of Ni-doped germanium nanoclusters: a density functional modeling study. Dhaka K; Trivedi R; Bandyopadhyay D J Mol Model; 2013 Apr; 19(4):1473-88. PubMed ID: 23239395 [TBL] [Abstract][Full Text] [Related]
15. Structure, stability, electronic and magnetic properties of Ni4 clusters containing impurity atoms. St Petkov P; Vayssilov GN; Krüger S; Rösch N Phys Chem Chem Phys; 2006 Mar; 8(11):1282-91. PubMed ID: 16633608 [TBL] [Abstract][Full Text] [Related]
16. Ab initio calculations for the Zn 2s and 2p core level binding energies in Zn oxo compounds and ZnO. Rössler N; Kotsis K; Staemmler V Phys Chem Chem Phys; 2006 Feb; 8(6):697-706. PubMed ID: 16482309 [TBL] [Abstract][Full Text] [Related]
17. Correlations of the stability, static dipole polarizabilities, and electronic properties of yttrium clusters. Li XB; Wang HY; Lv R; Wu WD; Luo JS; Tang YJ J Phys Chem A; 2009 Sep; 113(38):10335-42. PubMed ID: 19722531 [TBL] [Abstract][Full Text] [Related]
18. Electronic structure of stoichiometric and reduced ZnO from periodic relativistic all electron hybrid density functional calculations using numeric atom-centered orbitals. Viñes F; Illas F J Comput Chem; 2017 Mar; 38(8):523-529. PubMed ID: 28074481 [TBL] [Abstract][Full Text] [Related]
19. Structural, electronic and catalytic properties of Ag Yang S; Li W; Li Y; Chen X; Zhang H; Xu B; Yang B Phys Chem Chem Phys; 2022 Nov; 24(43):26631-26641. PubMed ID: 36300366 [TBL] [Abstract][Full Text] [Related]
20. Site specific interactions of amino acids with (ZnO) Rao BK J Biomol Struct Dyn; 2022; 40(23):13325-13333. PubMed ID: 34613890 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]