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.
121 related articles for article (PubMed ID: 23744130)
1. The shape of Au8: gold leaf or gold nugget? Serapian SA; Bearpark MJ; Bresme F Nanoscale; 2013 Jul; 5(14):6445-57. PubMed ID: 23744130 [TBL] [Abstract][Full Text] [Related]
2. Where does the planar-to-nonplanar turnover occur in small gold clusters? Olson RM; Varganov S; Gordon MS; Metiu H; Chretien S; Piecuch P; Kowalski K; Kucharski SA; Musial M J Am Chem Soc; 2005 Jan; 127(3):1049-52. PubMed ID: 15656643 [TBL] [Abstract][Full Text] [Related]
3. Isomers of Au8. Olson RM; Gordon MS J Chem Phys; 2007 Jun; 126(21):214310. PubMed ID: 17567199 [TBL] [Abstract][Full Text] [Related]
4. Appropriate description of intermolecular interactions in the methane hydrates: an assessment of DFT methods. Liu Y; Zhao J; Li F; Chen Z J Comput Chem; 2013 Jan; 34(2):121-31. PubMed ID: 22949382 [TBL] [Abstract][Full Text] [Related]
5. Spatial structure of Au8: Importance of basis set completeness and geometry relaxation. Diefenbach M; Kim KS J Phys Chem B; 2006 Nov; 110(43):21639-42. PubMed ID: 17064119 [TBL] [Abstract][Full Text] [Related]
6. Structure of Au8: planar or nonplanar? Han YK J Chem Phys; 2006 Jan; 124(2):024316. PubMed ID: 16422592 [TBL] [Abstract][Full Text] [Related]
7. Calculations on noncovalent interactions and databases of benchmark interaction energies. Hobza P Acc Chem Res; 2012 Apr; 45(4):663-72. PubMed ID: 22225511 [TBL] [Abstract][Full Text] [Related]
8. Quantum chemical modeling of benzene ethylation over H-ZSM-5 approaching chemical accuracy: a hybrid MP2:DFT study. Hansen N; Kerber T; Sauer J; Bell AT; Keil FJ J Am Chem Soc; 2010 Aug; 132(33):11525-38. PubMed ID: 20677757 [TBL] [Abstract][Full Text] [Related]
9. Reference MP2/CBS and CCSD(T) quantum-chemical calculations on stacked adenine dimers. Comparison with DFT-D, MP2.5, SCS(MI)-MP2, M06-2X, CBS(SCS-D) and force field descriptions. Morgado CA; Jurecka P; Svozil D; Hobza P; Sponer J Phys Chem Chem Phys; 2010 Apr; 12(14):3522-34. PubMed ID: 20336251 [TBL] [Abstract][Full Text] [Related]
10. Role of size and shape selectivity in interaction between gold nanoclusters and imidazole: a theoretical study. Prakash M; Chambaud G; Al-Mogren MM; Hochlaf M J Mol Model; 2014 Dec; 20(12):2534. PubMed ID: 25488624 [TBL] [Abstract][Full Text] [Related]
11. How Can We Understand Au8 Cores and Entangled Ligands of Selenolate- and Thiolate-Protected Gold Nanoclusters Au24(ER)20 and Au20(ER)16 (E = Se, S; R = Ph, Me)? A Theoretical Study. Takagi N; Ishimura K; Matsui M; Fukuda R; Matsui T; Nakajima T; Ehara M; Sakaki S J Am Chem Soc; 2015 Jul; 137(26):8593-602. PubMed ID: 26076323 [TBL] [Abstract][Full Text] [Related]
12. A balanced procedure for the treatment of cluster-ligand interactions on gold phosphine systems in catalysis. Mollenhauer D; Gaston N J Comput Chem; 2014 May; 35(13):986-97. PubMed ID: 24648301 [TBL] [Abstract][Full Text] [Related]
13. Theoretical thermodynamics for large molecules: walking the thin line between accuracy and computational cost. Schwabe T; Grimme S Acc Chem Res; 2008 Apr; 41(4):569-79. PubMed ID: 18324790 [TBL] [Abstract][Full Text] [Related]
14. On the importance of electron correlation effects for the intramolecular stacking geometry of a bis-thiophene derivative. Pluhácková K; Grimme S; Hobza P J Phys Chem A; 2008 Dec; 112(48):12469-74. PubMed ID: 18998658 [TBL] [Abstract][Full Text] [Related]
15. True stabilization energies for the optimal planar hydrogen-bonded and stacked structures of guanine...cytosine, adenine...thymine, and their 9- and 1-methyl derivatives: complete basis set calculations at the MP2 and CCSD(T) levels and comparison with experiment. Jurecka P; Hobza P J Am Chem Soc; 2003 Dec; 125(50):15608-13. PubMed ID: 14664608 [TBL] [Abstract][Full Text] [Related]
16. The lowest-energy structure of the gold cluster Au Nhat PV; Si NT; Hang NTN; Nguyen MT Phys Chem Chem Phys; 2021 Dec; 24(1):42-47. PubMed ID: 34905595 [TBL] [Abstract][Full Text] [Related]
17. Catalysis of the acetylene hydrochlorination reaction by Si-doped Au clusters: a DFT study. Zhao Y; Zhao F; Kang L J Mol Model; 2018 Feb; 24(3):61. PubMed ID: 29464333 [TBL] [Abstract][Full Text] [Related]
18. Comparison of aromatic NH···π, OH···π, and CH···π interactions of alanine using MP2, CCSD, and DFT methods. Mohan N; Vijayalakshmi KP; Koga N; Suresh CH J Comput Chem; 2010 Dec; 31(16):2874-82. PubMed ID: 20928850 [TBL] [Abstract][Full Text] [Related]
19. Remarkable Structural Effect on the Gold-Hydrogen Analogy in Hydrogen-Doped Gold Cluster. Megha ; Kamal C; Mondal K; Ghanty TK; Banerjee A J Phys Chem A; 2019 Mar; 123(10):1973-1982. PubMed ID: 30835119 [TBL] [Abstract][Full Text] [Related]
20. MP2.5 and MP2.X: approaching CCSD(T) quality description of noncovalent interaction at the cost of a single CCSD iteration. Sedlak R; Riley KE; Řezáč J; Pitoňák M; Hobza P Chemphyschem; 2013 Mar; 14(4):698-707. PubMed ID: 23315749 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]