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Results 1 to 25 of 8481

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A computational study on nanocrystalline SnO2 : Adsorption of CO and O2 onto defective nanograinsMAZZONE, A. M; MORANDI, V.Applied surface science. 2007, Vol 253, Num 8, pp 4010-4015, issn 0169-4332, 6 p.Article

Interactions of lead with carboxyl and hydroxyl-decorated(10, 0) single-walled carbon nanotubes: First-principle calculationsBASTOS, M; CAMPS, I.Applied surface science. 2013, Vol 285, pp 198-204, issn 0169-4332, 7 p., bArticle

First-principles calculations of the structural and electronic properties of the cubic CaZrO3 (001) surfacesBRIK, M. G; MA, C.-G; KRASNENKO, V et al.Surface science. 2013, Vol 608, pp 146-153, issn 0039-6028, 8 p.Article

First-principles investigation of Co wires at Pt(111) step-edgesBAUD, S; BIHLMAYER, G; BLÜGEL, S et al.Surface science. 2006, Vol 600, Num 18, pp 4301-4304, issn 0039-6028, 4 p.Conference Paper

Optical, Mechanical, and Opto-Mechanical Switching of Anchored Dithioazobenzene BridgesTURANSKY, Robert; KONOPKA, Martin; DOLTSINIS, Nikos L et al.ChemPhysChem (Print). 2010, Vol 11, Num 2, pp 345-348, issn 1439-4235, 4 p.Article

Microsolvation of an ionic dopant in small 4He clusters : OH+(3Σ)(4He)N via genetic algorithm optimizationsMARINETTI, Fabio; BODO, Enrico; GIANTURCO, Franco A et al.ChemPhysChem (Print). 2007, Vol 8, Num 1, pp 93-100, issn 1439-4235, 8 p.Article

CECAM Workshop on Linear-scaling ab initio calculations: applications and future directionsJournal of physics. Condensed matter (Print). 2008, Vol 20, Num 29, issn 0953-8984, 290301.1-294215.8 [124 p.]Conference Paper

Ab initio calculations of generalized-stacking-fault energy surfaces and surface energies for FCC metalsWU, Xiao-Zhi; RUI WANG; WANG, Shao-Feng et al.Applied surface science. 2010, Vol 256, Num 21, pp 6345-6349, issn 0169-4332, 5 p.Article

Thermodynamic driving forces governing assembly of disilicide nanowiresSHINDE, Aniketa; RUQIAN WU; RAGAN, Regina et al.Surface science. 2010, Vol 604, Num 17-18, pp 1481-1486, issn 0039-6028, 6 p.Article

The effect of Me―Ti inter-atomic interactions on wetting in CaF2/(Me―Ti) systems: Ab-initio considerationsBARZILAI, S; ARGAMAN, N; FROUMIN, N et al.Surface science. 2009, Vol 603, Num 13, pp 2096-2101, issn 0039-6028, 6 p.Article

Lindemann criterion and the anomalous melting curve of sodiumMARTINEZ-CANALES, M; BERGARA, A.The Journal of physics and chemistry of solids. 2008, Vol 69, Num 9, pp 2151-2154, issn 0022-3697, 4 p.Conference Paper

Carbon nanotube adsorbed on hydrogenated Si(001) surfacesMIWA, R. H; ORELLANA, W; FAZZIO, A et al.Applied surface science. 2005, Vol 244, Num 1-4, pp 124-128, issn 0169-4332, 5 p.Conference Paper

Atomic and electronic structures of the (√13 × √13)R13.9° of silicene sheet on Ag(111)MOHAMED RACHID TCHALALA; ENRIQUEZ, Hanna; YILDIRIM, Handan et al.Applied surface science. 2014, Vol 303, pp 61-66, issn 0169-4332, 6 p.Article

Trends in adsorption of open-shell atoms and small molecular fragments on the Ag(111) surfaceKOKH, Daria B; BUENKER, Robert J; WHITTEN, Jerry L et al.Surface science. 2006, Vol 600, Num 23, pp 5104-5113, issn 0039-6028, 10 p.Article

The geometry of Bi nanolines on Si(001)MIWA, R. H; MACLEOD, J. M; SRIVASTAVA, G. P et al.Applied surface science. 2005, Vol 244, Num 1-4, pp 157-160, issn 0169-4332, 4 p.Conference Paper

Kinetic energy of structural protons in silica xerogelsMOREH, R; NEMIROVSKY, D; ZABICKY, J et al.Surface science. 2012, Vol 606, Num 13-14, pp 1088-1092, issn 0039-6028, 5 p.Article

Ab initio study of the fcc-WC( 10 0) surface and its interaction with cobalt monolayersZAVODINSKY, V. G.Applied surface science. 2011, Vol 257, Num 8, pp 3581-3585, issn 0169-4332, 5 p.Article

Comparative study of the nature of chemical bonding of corrugated graphene on Ru(0001) and Rh(111) by electronic structure calculationsIANNUZZI, Marcella; HUTTER, Jurg.Surface science. 2011, Vol 605, Num 15-16, pp 1360-1368, issn 0039-6028, 9 p.Article

Au-induced charge redistribution on Si(111)-7 × 7 surfaceYINGHUI ZHOU; WU, Qi-Hui; CHANGJIE ZHOU et al.Surface science. 2008, Vol 602, Num 2, pp 638-643, issn 0039-6028, 6 p.Article

Stability of superdense lithium graphite compoundsRABII, S; GUERARD, D.The Journal of physics and chemistry of solids. 2008, Vol 69, Num 5-6, pp 1165-1167, issn 0022-3697, 3 p.Conference Paper

Structure and phase transitions of the Sn/Ge(111) surfaceGORI, P; PULCI, O; COLONNA, S et al.Surface science. 2007, Vol 601, Num 18, pp 4381-4385, issn 0039-6028, 5 p.Conference Paper

Interaction of S, SH and H2S with Ag(100)CHANGYONG QIN; WHITTEN, Jerry L.Surface science. 2005, Vol 588, Num 1-3, pp 83-91, issn 0039-6028, 9 p.Article

Cages and needles of group 13-15 binary hydridesSCHAUMLÖFFEL, Anu; LINNOLAHTI, Mikko; KARTTUNEN, Antti J et al.ChemPhysChem (Print). 2007, Vol 8, Num 1, pp 62-63, issn 1439-4235, 2 p.Article

Interaction Modes and Absolute Affinities of α-Amino Acids for Mn2+: A Comprehensive PictureHASSAN KHODABANDEH, M; REISI, Hamid; DAVARI, Mehdi D et al.ChemPhysChem (Print). 2013, Vol 14, Num 8, pp 1733-1745, issn 1439-4235, 13 p.Article

Photoelectron spectroscopic studies of the interfacial reaction between glass and commercial adhesiveWANG, Y. Q; CHEN, J; GAO, F et al.Surface and interface analysis. 2009, Vol 41, Num 6, pp 463-470, issn 0142-2421, 8 p.Article

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