141 related articles for article (PubMed ID: 20449379)
21. Mechanism of the hydration of carbon dioxide: direct participation of H2O versus microsolvation.
Nguyen MT; Matus MH; Jackson VE; Vu TN; Rustad JR; Dixon DA
J Phys Chem A; 2008 Oct; 112(41):10386-98. PubMed ID: 18816037
[TBL] [Abstract][Full Text] [Related]
22. Molecular aniline clusters. I. The electronic ground state.
Schemmel D; Schütz M
J Chem Phys; 2010 May; 132(17):174303. PubMed ID: 20459165
[TBL] [Abstract][Full Text] [Related]
23. Supramolecular architectures assembled by the interaction of purine nucleobases with metal-oxalato frameworks. Non-covalent stabilization of the 7H-adenine tautomer in the solid-state.
García-Terán JP; Castillo O; Luque A; García-Couceiro U; Beobide G; Román P
Dalton Trans; 2006 Feb; (7):902-11. PubMed ID: 16462950
[TBL] [Abstract][Full Text] [Related]
24. Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations.
Jurecka P; Cerný J; Hobza P; Salahub DR
J Comput Chem; 2007 Jan; 28(2):555-69. PubMed ID: 17186489
[TBL] [Abstract][Full Text] [Related]
25. Density functional study of adenine tetrads with N6-H6...N3 hydrogen bonds.
Meyer M; Sühnel J
J Phys Chem A; 2008 May; 112(18):4336-41. PubMed ID: 18380490
[TBL] [Abstract][Full Text] [Related]
26. 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]
27. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
Pai CC; Li AH; Chao SD
J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
[TBL] [Abstract][Full Text] [Related]
28. 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]
29. Electronic structure, binding energy, and solvation structure of the streptavidin-biotin supramolecular complex: ONIOM and 3D-RISM study.
Li Q; Gusarov S; Evoy S; Kovalenko A
J Phys Chem B; 2009 Jul; 113(29):9958-67. PubMed ID: 19545155
[TBL] [Abstract][Full Text] [Related]
30. Accurate interaction energies at density functional theory level by means of an efficient dispersion correction.
Krishtal A; Vanommeslaeghe K; Olasz A; Veszprémi T; Van Alsenoy C; Geerlings P
J Chem Phys; 2009 May; 130(17):174101. PubMed ID: 19425763
[TBL] [Abstract][Full Text] [Related]
31. Study of the structure, energetics, and vibrational properties of small ammonia clusters (NH3)n (n = 2-5) using correlated ab initio methods.
Janeiro-Barral PE; Mella M
J Phys Chem A; 2006 Oct; 110(39):11244-51. PubMed ID: 17004733
[TBL] [Abstract][Full Text] [Related]
32. Estimation of strength in different extra Watson-Crick hydrogen bonds in DNA double helices through quantum chemical studies.
Bandyopadhyay D; Bhattacharyya D
Biopolymers; 2006 Oct; 83(3):313-25. PubMed ID: 16729290
[TBL] [Abstract][Full Text] [Related]
33. Structure of the indole-benzene dimer revisited.
Biswal HS; Gloaguen E; Mons M; Bhattacharyya S; Shirhatti PR; Wategaonkar S
J Phys Chem A; 2011 Sep; 115(34):9485-92. PubMed ID: 21413767
[TBL] [Abstract][Full Text] [Related]
34. The small planarization barriers for the amino group in the nucleic acid bases.
Wang S; Schaefer HF
J Chem Phys; 2006 Jan; 124(4):044303. PubMed ID: 16460158
[TBL] [Abstract][Full Text] [Related]
35. Cooperative effects, strengths of hydrogen bonds, and intermolecular interactions in circular cis, trans-cyclotriazane clusters (n = 3-8).
Song HJ; Xiao HM; Dong HS
J Chem Phys; 2006 Aug; 125(7):074308. PubMed ID: 16942340
[TBL] [Abstract][Full Text] [Related]
36. An ab initio benchmark study of hydrogen bonded formamide dimers.
Frey JA; Leutwyler S
J Phys Chem A; 2006 Nov; 110(45):12512-8. PubMed ID: 17091957
[TBL] [Abstract][Full Text] [Related]
37. Isomers of the uracil dimer: an ab initio benchmark study.
Frey JA; Müller A; Losada M; Leutwyler S
J Phys Chem B; 2007 Apr; 111(13):3534-42. PubMed ID: 17388514
[TBL] [Abstract][Full Text] [Related]
38. Absolute and relative binding free energy calculations of the interaction of biotin and its analogs with streptavidin using molecular dynamics/free energy perturbation approaches.
Miyamoto S; Kollman PA
Proteins; 1993 Jul; 16(3):226-45. PubMed ID: 8346190
[TBL] [Abstract][Full Text] [Related]
39. Hydrogen-bonding-induced shifts of the excitation energies in nucleic acid bases: an interplay between electrostatic and electron density overlap effects.
Wesolowski TA
J Am Chem Soc; 2004 Sep; 126(37):11444-5. PubMed ID: 15366883
[TBL] [Abstract][Full Text] [Related]
40. Cooperativity in noncovalent interactions of biologically relevant molecules.
Antony J; Brüske B; Grimme S
Phys Chem Chem Phys; 2009 Oct; 11(38):8440-7. PubMed ID: 19774274
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]