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.
152 related articles for article (PubMed ID: 27404717)
21. Importance of van der Waals effects on the hydration of metal ions from the Hofmeister series. Zhou L; Xu J; Xu L; Wu X J Chem Phys; 2019 Mar; 150(12):124505. PubMed ID: 30927898 [TBL] [Abstract][Full Text] [Related]
22. Ab initio theory and modeling of water. Chen M; Ko HY; Remsing RC; Calegari Andrade MF; Santra B; Sun Z; Selloni A; Car R; Klein ML; Perdew JP; Wu X Proc Natl Acad Sci U S A; 2017 Oct; 114(41):10846-10851. PubMed ID: 28973868 [TBL] [Abstract][Full Text] [Related]
23. Dispersion Corrected Structural Properties and Quasiparticle Band Gaps of Several Organic Energetic Solids. Appalakondaiah S; Vaitheeswaran G; Lebègue S J Phys Chem A; 2015 Jun; 119(24):6574-81. PubMed ID: 25978775 [TBL] [Abstract][Full Text] [Related]
24. Stability of Complex Biomolecular Structures: van der Waals, Hydrogen Bond Cooperativity, and Nuclear Quantum Effects. Rossi M; Fang W; Michaelides A J Phys Chem Lett; 2015 Nov; 6(21):4233-8. PubMed ID: 26722963 [TBL] [Abstract][Full Text] [Related]
25. Dynamical screening of van der Waals interactions in nanostructured solids: Sublimation of fullerenes. Tao J; Yang J; Rappe AM J Chem Phys; 2015 Apr; 142(16):164302. PubMed ID: 25933759 [TBL] [Abstract][Full Text] [Related]
26. Structure, dynamics, and reactivity of hydrated electrons by ab initio molecular dynamics. Marsalek O; Uhlig F; VandeVondele J; Jungwirth P Acc Chem Res; 2012 Jan; 45(1):23-32. PubMed ID: 21899274 [TBL] [Abstract][Full Text] [Related]
27. Self-consistent implementation of a nonlocal van der Waals density functional with a Gaussian basis set. Vydrov OA; Wu Q; Van Voorhis T J Chem Phys; 2008 Jul; 129(1):014106. PubMed ID: 18624469 [TBL] [Abstract][Full Text] [Related]
28. Comparative study of van der Waals corrections to the bulk properties of graphite. Rêgo CR; Oliveira LN; Tereshchuk P; Da Silva JL J Phys Condens Matter; 2015 Oct; 27(41):415502. PubMed ID: 26417925 [TBL] [Abstract][Full Text] [Related]
29. Structure of liquid water - a dynamical mixture of tetrahedral and 'ring-and-chain' like structures. Liu J; He X; Zhang JZH Phys Chem Chem Phys; 2017 May; 19(19):11931-11936. PubMed ID: 28440370 [TBL] [Abstract][Full Text] [Related]
30. The self-consistent charge density functional tight binding method applied to liquid water and the hydrated excess proton: benchmark simulations. Maupin CM; Aradi B; Voth GA J Phys Chem B; 2010 May; 114(20):6922-31. PubMed ID: 20426461 [TBL] [Abstract][Full Text] [Related]
31. Importance of van der Waals Interactions in QM/MM Simulations. Riccardi D; Li G; Cui Q J Phys Chem B; 2004 May; 108(20):6467-78. PubMed ID: 18950136 [TBL] [Abstract][Full Text] [Related]
32. The role of the van der Waals interactions in the adsorption of anthracene and pentacene on the Ag(111) surface. Morbec JM; Kratzer P J Chem Phys; 2017 Jan; 146(3):034702. PubMed ID: 28109219 [TBL] [Abstract][Full Text] [Related]
33. Electronic Exchange and Correlation in van der Waals Systems: Balancing Semilocal and Nonlocal Energy Contributions. Hermann J; Tkatchenko A J Chem Theory Comput; 2018 Mar; 14(3):1361-1369. PubMed ID: 29447445 [TBL] [Abstract][Full Text] [Related]
34. A van der Waals density functional study of ice Ih. Hamada I J Chem Phys; 2010 Dec; 133(21):214503. PubMed ID: 21142304 [TBL] [Abstract][Full Text] [Related]
35. Structure of liquid water at ambient temperature from ab initio molecular dynamics performed in the complete basis set limit. Lee HS; Tuckerman ME J Chem Phys; 2006 Oct; 125(15):154507. PubMed ID: 17059272 [TBL] [Abstract][Full Text] [Related]
36. Application of van der Waals functionals to the calculation of dissociative adsorption of N2 on W(110) for static and dynamic systems. Migliorini D; Nattino F; Kroes GJ J Chem Phys; 2016 Feb; 144(8):084702. PubMed ID: 26931713 [TBL] [Abstract][Full Text] [Related]
37. Van der Waals effects in ab initio water at ambient and supercritical conditions. Jonchiere R; Seitsonen AP; Ferlat G; Saitta AM; Vuilleumier R J Chem Phys; 2011 Oct; 135(15):154503. PubMed ID: 22029320 [TBL] [Abstract][Full Text] [Related]
38. Application of a Dual-Hybrid Direct Random Phase Approximation to Water Clusters. Mezei PD; Ruzsinszky A; Csonka GI J Chem Theory Comput; 2016 Sep; 12(9):4222-32. PubMed ID: 27500940 [TBL] [Abstract][Full Text] [Related]
39. Unraveling the stability of polypeptide helices: critical role of van der Waals interactions. Tkatchenko A; Rossi M; Blum V; Ireta J; Scheffler M Phys Rev Lett; 2011 Mar; 106(11):118102. PubMed ID: 21469900 [TBL] [Abstract][Full Text] [Related]
40. Density functional study of 1,3,5-trinitro-1,3,5-triazine molecular crystal with van der Waals interactions. Shimojo F; Wu Z; Nakano A; Kalia RK; Vashishta P J Chem Phys; 2010 Mar; 132(9):094106. PubMed ID: 20210388 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]