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Results 1 to 25 of 12815

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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

First-principle modeling of gold adsorption on BeO (0001)BARZILAI, S; TAVAZZA, F; LEVINE, L. E et al.Surface science. 2013, Vol 609, pp 39-43, issn 0039-6028, 5 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

First-principles study of nitrobenzene adsorption on grapheneZHENHONG DAI; YINCHANG ZHAO.Applied surface science. 2014, Vol 305, pp 382-385, issn 0169-4332, 4 p.Article

Ferromagnetism induced by intrinsic defects and nitrogen substitution in SnO2 nanotubeYONGJIA ZHANG; HUA LIU; HONGWEI QIN et al.Applied surface science. 2011, Vol 257, Num 23, pp 10206-10210, issn 0169-4332, 5 p.Article

Physisorption energy of successive layers of H2 molecules with a (100) surface of copperCILPA, G; CHAMBAUD, G.Surface science. 2007, Vol 601, Num 2, pp 320-328, issn 0039-6028, 9 p.Article

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

Understanding Fluorine Effects in Liquid CrystalsKIRSCH, Peer; BREMER, Matthias.ChemPhysChem (Print). 2010, Vol 11, Num 2, pp 357-360, issn 1439-4235, 4 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

Structure of ordered oxide on InAs(100) surfacePUNKKINEN, M. PJ; LAUKKANEN, P; LANG, J et al.Surface science. 2012, Vol 606, Num 23-24, pp 1837-1841, issn 0039-6028, 5 p.Article

Theoretical investigation of OCN adsorption onto boron nitride nanotubesSOLTANI, Alireza; AHMADIAN, Nasim; AMIRAZAMI, Abolfazl et al.Applied surface science. 2012, Vol 261, pp 262-267, issn 0169-4332, 6 p.Article

Primary nucleation processes in binary oxide growth : The case of MgOGENESTE, Grégory; MORILLO, Joseph; FINOCCHI, Fabio et al.Surface science. 2007, Vol 601, Num 23, pp 5616-5627, issn 0039-6028, 12 p.Article

Volume and heat of solution of hydrogen in rare earths from proton screening chargesMARCHETTI, J. M; SEGUI, S; GERVASONI, J. L et al.The Journal of physics and chemistry of solids. 2006, Vol 67, Num 8, pp 1692-1696, issn 0022-3697, 5 p.Article

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

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