Simple analytical functional forms for the electron density of twoand Ž . three-electron atoms which reproduce fairly the correlated exact values are presented. Ž . The procedure is based on the fitting of an auxiliary f r function which has adequate properties for this purpose and can be extended to more complex atoms. Q 1999 John Wiley & Sons, Inc. Int J Quant Chem 71: 443]454, 1999

Prospects for sub-micron solid state nuclear magnetic resonance imaging with low-temperature dynamic nuclear polarization Kent R. Thurber and Robert Tycko, Phys. Chem. Chem. Phys., 2010, 12, 5779 http://dx.doi.org/10.1039/c0cp00157k Liquid state DNP using a 260 GHz high power gyrotron Vasyl Denysenkov, Mark J. Prandolini, Marat Gafurov, Deniz Sezer, Burkhard Endeward and Thomas F. Prisner, Phys...

Silver nanoparticles self assembly as SERS substrates with near single molecule detection limit Meikun Fan and Alexandre G. Brolo, Phys. Chem. Chem. Phys., 2009 DOI: 10.1039/b904744a Gated electron transfer of cytochrome c6 at biomimetic interfaces: a time-resolved SERR study Anja Kranich, Hendrik Naumann, Fernando P. Molina-Heredia, H. Justin Moore, T. Randall Lee, Sophie Lecomte, Miguel A. de...

ILOnsager, L., Physik. Z., 28, 277 (1927); Onsager, L., and Fuoss, R. M., J. Phys. Chem., 36, 2689 (1932); Fuoss, R. M., Physik. Z., 35, 59 (1935). 2 Shedlovsky, T., J. Am. Chem. Soc., 54, 405 (1932). 3 Shedlovsky, T., Brown, A. S., and Maclnnes, D. A., Trans. Electrochem. Soc., 66, 165 (1934); Benson, G. C., and Gordon, A. R., J. Chem. Phys., 13, 473 (1948); Monk, C. S., J. Am. Chem. Soc., 70,...

Bending of purple membranes in dependence on the pH analyzed by AFM and single molecule force spectroscopy R.-P. Baumann, M. Schranz and N. Hampp, Phys. Chem. Chem. Phys., 2010 DOI: 10.1039/b919729j Bifunctional polyacrylamide based polymers for the specific binding of hexahistidine tagged proteins on gold surfaces Lucas B. Thompson, Nathan H. Mack and Ralph G. Nuzzo, Phys. Chem. Chem. Phys., 2...

Chibnall, A. C. & Piper, H. S. (1934). Biochem. J. 28, 2209. Chibnall, A. C., Piper, H. S., Pollard, A., Williams, E. F. & Sahai, P. N. (1934). Biochem. J. 28, 2189. Clark, G. L. & Smith, H. A. (1931). Indu8tr. Engng Chem. 23, 697. Davidson, D. (1940). Indu8tr. Engng Chem. (Anal.) 12, 40. Fetterley, L. C. (1952). U.S. Patent 2,520,715. Herout, V. (1950). Coll. Czech. Chem. Comm. 15, 381. Herout...

The UV absorption of nucleobases: semi-classical ab initio spectra simulations Mario Barbatti, Adelia J. A. Aquino and Hans Lischka, Phys. Chem. Chem. Phys., 2010. DOI: 10.1039/b924956g Vibronic coupling in indole: I. Theoretical description of the La–Lb interaction and the electronic spectrum Christian Brand, Jochen Küpper, David W. Pratt, W. Leo Meerts, Daniel Krügler, Jörg Tatchen and Michae...

High-resolution 17O double-rotation NMR characterization of ring and non-ring oxygen in vitreous B2O3 Alan Wong, Andy P. Howes, Ben Parkinson, Tiit Anupõld, Ago Samoson, Diane Holland and Ray Dupree, Phys. Chem. Chem. Phys., 2009, DOI: 10.1039/b906501f Probing chemical disorder in glasses using silicon-29 NMR spectral editing Julien Hiet, Michaël Deschamps, Nadia Pellerin, Franck Fayon and Domi...

Electrochemical and FTIRS characterisation of NO adlayers on cyanide-modified Pt(111) electrodes: the mechanism of nitric oxide electroreduction on Pt Angel Cuesta and María Escudero, Phys. Chem. Chem. Phys., 2008 DOI: 10.1039/b717396b Electrodeposited noble metal particles in polyelectrolyte multilayer matrix as electrocatalyst for oxygen reduction studied using SECM Yan Shen, Markus Träuble a...

Related Articles Grand canonical-like molecular dynamics simulations: Application to anisotropic mass diffusion in a nanoporous medium J. Chem. Phys. 136, 184702 (2012) Fluctuations and micro-heterogeneity in aqueous mixtures J. Chem. Phys. 136, 174516 (2012) How does water-nanotube interaction influence water flow through the nanochannel? JCP: BioChem. Phys. 6, 05B602 (2012) How does water-nan...