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319 related items for PubMed ID: 19140141
1. A new hybrid DFT approach to electronic excitation and first hyperpolarizabilities of transition metal complexes. Lin J, Wu K, Zhang M. J Comput Chem; 2009 Oct; 30(13):2056-63. PubMed ID: 19140141 [Abstract] [Full Text] [Related]
2. Tailoring transition metal complexes for nonlinear optics applications. 2. A theoretical investigation of the second-order nonlinear optical properties of M(CO)(5)L complexes (M = Cr, W; L = Py, PyCHO, Pyz, PyzBF(3), BPE, BPEBF(3)). Bruschi M, Fantucci P, Pizzotti M. J Phys Chem A; 2005 Oct 27; 109(42):9637-45. PubMed ID: 16866417 [Abstract] [Full Text] [Related]
3. Double-hybrid density functional theory for excited electronic states of molecules. Grimme S, Neese F. J Chem Phys; 2007 Oct 21; 127(15):154116. PubMed ID: 17949141 [Abstract] [Full Text] [Related]
8. Direct metal-metal interaction contributions to quadratic hyperpolarizability: a study on dirhenium complexes. Li Q, Sa R, Wei Y, Wu K. J Phys Chem A; 2008 Jun 05; 112(22):4965-72. PubMed ID: 18461913 [Abstract] [Full Text] [Related]
12. Density functionals for inorganometallic and organometallic chemistry. Schultz NE, Zhao Y, Truhlar DG. J Phys Chem A; 2005 Dec 15; 109(49):11127-43. PubMed ID: 16331896 [Abstract] [Full Text] [Related]
13. Second-order nonlinear optical properties of transition metal clusters [MoS4Cu4X2Py2] (M=Mo, W; X=Br, I). Li Q, Wu K, Wei Y, Sa R, Cui Y, Lu C, Zhu J, He J. Phys Chem Chem Phys; 2009 Jun 14; 11(22):4490-7. PubMed ID: 19475167 [Abstract] [Full Text] [Related]
14. Performance of density functional theory for 3d transition metal-containing complexes: utilization of the correlation consistent basis sets. Tekarli SM, Drummond ML, Williams TG, Cundari TR, Wilson AK. J Phys Chem A; 2009 Jul 30; 113(30):8607-14. PubMed ID: 19572689 [Abstract] [Full Text] [Related]
16. Cubic response functions in time-dependent density functional theory. Jansik B, Sałek P, Jonsson D, Vahtras O, Agren H. J Chem Phys; 2005 Feb 01; 122(5):54107. PubMed ID: 15740310 [Abstract] [Full Text] [Related]
17. Polarizability and second hyperpolarizability evaluation of long molecules by the density functional theory with long-range correction. Sekino H, Maeda Y, Kamiya M, Hirao K. J Chem Phys; 2007 Jan 07; 126(1):014107. PubMed ID: 17212490 [Abstract] [Full Text] [Related]