341 related articles for article (PubMed ID: 16231938)
1. Van der Waals complexes of polar aromatic molecules: unexpected structures for dimers of azulene.
Piacenza M; Grimme S
J Am Chem Soc; 2005 Oct; 127(42):14841-8. PubMed ID: 16231938
[TBL] [Abstract][Full Text] [Related]
2. Van der Waals interactions in aromatic systems: structure and energetics of dimers and trimers of pyridine.
Piacenza M; Grimme S
Chemphyschem; 2005 Aug; 6(8):1554-8. PubMed ID: 16013080
[TBL] [Abstract][Full Text] [Related]
3. Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer.
Pitonák M; Riley KE; Neogrády P; Hobza P
Chemphyschem; 2008 Aug; 9(11):1636-44. PubMed ID: 18574830
[TBL] [Abstract][Full Text] [Related]
4. Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains.
Nagy PI; Erhardt PW
J Phys Chem A; 2008 May; 112(18):4342-54. PubMed ID: 18373368
[TBL] [Abstract][Full Text] [Related]
5. Binding in thiophene and benzothiophene dimers investigated by density functional theory with dispersion-correcting potentials.
Mackie ID; McClure SA; DiLabio GA
J Phys Chem A; 2009 May; 113(18):5476-84. PubMed ID: 19361188
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. Accurate description of van der Waals complexes by density functional theory including empirical corrections.
Grimme S
J Comput Chem; 2004 Sep; 25(12):1463-73. PubMed ID: 15224390
[TBL] [Abstract][Full Text] [Related]
8. Intermolecular interactions of nitrobenzene-benzene complex and nitrobenzene dimer: significant stabilization of slipped-parallel orientation by dispersion interaction.
Tsuzuki S; Honda K; Uchimaru T; Mikami M
J Chem Phys; 2006 Sep; 125(12):124304. PubMed ID: 17014171
[TBL] [Abstract][Full Text] [Related]
9. Scope and limitations of the SCS-MP2 method for stacking and hydrogen bonding interactions.
Bachorz RA; Bischoff FA; Höfener S; Klopper W; Ottiger P; Leist R; Frey JA; Leutwyler S
Phys Chem Chem Phys; 2008 May; 10(19):2758-66. PubMed ID: 18464991
[TBL] [Abstract][Full Text] [Related]
10. Competition between van der Waals and hydrogen bonding interactions: structure of the trans-1-naphthol/N(2) cluster.
Xantheas SS; Roth W; Fischer I
J Phys Chem A; 2005 Oct; 109(42):9584-9. PubMed ID: 16866411
[TBL] [Abstract][Full Text] [Related]
11. Structures and interaction energies of stacked graphene-nucleobase complexes.
Antony J; Grimme S
Phys Chem Chem Phys; 2008 May; 10(19):2722-9. PubMed ID: 18464987
[TBL] [Abstract][Full Text] [Related]
12. Probing the effects of heterogeneity on delocalized pi...pi interaction energies.
Bates DM; Anderson JA; Oloyede P; Tschumper GS
Phys Chem Chem Phys; 2008 May; 10(19):2775-9. PubMed ID: 18464993
[TBL] [Abstract][Full Text] [Related]
13. Comparative DFT study of van der Waals complexes: rare-gas dimers, alkaline-earth dimers, zinc dimer, and zinc-rare-gas dimers.
Zhao Y; Truhlar DG
J Phys Chem A; 2006 Apr; 110(15):5121-9. PubMed ID: 16610834
[TBL] [Abstract][Full Text] [Related]
14. Interactions of boranes and carboranes with aromatic systems: CCSD(T) complete basis set calculations and DFT-SAPT analysis of energy components.
Sedlák R; Fanfrlík J; Hnyk D; Hobza P; Lepsík M
J Phys Chem A; 2010 Oct; 114(42):11304-11. PubMed ID: 20831237
[TBL] [Abstract][Full Text] [Related]
15. Ab initio and analytic intermolecular potentials for Ar-CH(3)OH.
Tasić U; Alexeev Y; Vayner G; Crawford TD; Windus TL; Hase WL
Phys Chem Chem Phys; 2006 Oct; 8(40):4678-84. PubMed ID: 17047766
[TBL] [Abstract][Full Text] [Related]
16. Dispersion interactions of carbohydrates with condensate aromatic moieties: theoretical study on the CH-π interaction additive properties.
Kozmon S; Matuška R; Spiwok V; Koča J
Phys Chem Chem Phys; 2011 Aug; 13(31):14215-22. PubMed ID: 21755090
[TBL] [Abstract][Full Text] [Related]
17. Ab initio and DFT studies on van der Waals trimers: the OCS.(CO2)2 complexes.
Valdés H; Sordo JA
J Comput Chem; 2002 Mar; 23(4):444-55. PubMed ID: 11908080
[TBL] [Abstract][Full Text] [Related]
18. Pi-pi interaction in pyridine.
Mishra BK; Sathyamurthy N
J Phys Chem A; 2005 Jan; 109(1):6-8. PubMed ID: 16839083
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. Characteristics of the interaction of azulene with water and hydrogen sulfide: A computational study.
Cabaleiro-Lago EM; Rodríguez-Otero J; Peña-Gallego A
J Chem Phys; 2008 Aug; 129(8):084305. PubMed ID: 19044821
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]