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Results 1 to 25 of 338

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Theoretical investigation of molecular hydrogen adsorption and dissociation on AlnV(n = 1―13) clustersLING GUO; YANFEI YANG.International journal of hydrogen energy. 2013, Vol 38, Num 9, pp 3640-3649, issn 0360-3199, 10 p.Article

Phase equilibria and the thermodynamic properties of methyl and ethyl esters of carboxylic acids. 1. Methyl n-butanoate and ethyl propanoateAGAFONOVA, Luba E; VARUSHCHENKO, Raisa M; DRUZHININA, Anna I et al.Journal of chemical thermodynamics. 2012, Vol 47, pp 120-129, issn 0021-9614, 10 p.Article

Density functional study of NO adsorption on undefected and oxygen defective Au-BaO(1 0 0) surfacesANEZ, Rafael; SIERRAALTA, Aníbal; BASTARDO, Anelisse et al.Applied surface science. 2014, Vol 307, pp 165-171, issn 0169-4332, 7 p.Article

Theoretical study of heavy metal Cd, Cu, Hg, and Ni(II) adsorption on the kaolinite(0 01) surfaceJIAN ZHAO; HE, Man-Chao.Applied surface science. 2014, Vol 317, pp 718-723, issn 0169-4332, 6 p.Article

Nitrogen removal from natural gas using solid boron: A first-principles computational studyQIAO SUN; MENG WANG; ZHEN LI et al.Fuel (Guildford). 2013, Vol 109, pp 575-581, issn 0016-2361, 7 p.Article

Theoretical study of the adsorption and dissociation mechanism for methylamine on Pd(111)LIU, Jian-Hong; LV, Cun-Qin; YONG GUO et al.Applied surface science. 2013, Vol 271, pp 291-298, issn 0169-4332, 8 p.Article

First-principles study of LiBH4 nanoclusters interaction with models of porous carbon and silica scaffolds : Nanostructured Materials for Solid State Hydrogen StorageBLONSKI, Piotr; ŁODZIANA, Zbigniew.International journal of hydrogen energy. 2014, Vol 39, Num 18, pp 9848-9853, issn 0360-3199, 6 p.Article

Solute strengthening of twinning dislocations in Mg alloysGHAZISAEIDI, M; HECTOR, L. G; CURTIN, W. A et al.Acta materialia. 2014, Vol 80, pp 278-287, issn 1359-6454, 10 p.Article

Structural and spectroscopic study of tripeptide/layered double hydroxide hybridsYONGLIAO WANG; PINGXIAO WU; YUEWU LI et al.Journal of colloid and interface science. 2013, Vol 394, pp 564-572, issn 0021-9797, 9 p.Article

Molecular recognition of PTCDI-C8 molecules on the Si(1 1 0)-(16 × 2) surfaceLAMENT, Katarzyna; KAMINSKI, Wojciech; MAZUR, Piotr et al.Applied surface science. 2014, Vol 304, pp 50-55, issn 0169-4332, 6 p.Conference Paper

Chemisorption of cis-2-butene-1,4-diol on Si(100): A theoretical investigationDO HWAN KIM.Surface science. 2012, Vol 606, Num 15-16, pp 1268-1273, issn 0039-6028, 6 p.Article

PH-Dependent Radical Scavenging Capacity of Green Tea CatechinsMUZOLF, Malgorzata; SZYMUSIAK, Henryk; GLISZCZYNSKA-SWIGLO, Anna et al.Journal of agricultural and food chemistry (Print). 2008, Vol 56, Num 3, pp 816-823, issn 0021-8561, 8 p.Article

Molecular Docking and QSAR Studies: Noncovalent Interaction between Acephate Analogous and the Receptor Site of Human AcetylcholinesteraseGHOLIVAND, Khodayar; ALI ASGHAR EBRAHIMI VALMOOZI; MAHZOUNI, Hamid R et al.Journal of agricultural and food chemistry (Print). 2013, Vol 61, Num 28, pp 6776-6785, issn 0021-8561, 10 p.Article

DFT-GGA study of NO adsorption on the LaO (001) surface of LaFeO3KIZAKI, Hidetoshi; KUSAKABE, Koichi.Surface science. 2012, Vol 606, Num 3-4, pp 337-343, issn 0039-6028, 7 p.Article

Carbon monoxide adsorption on beryllium surfacesALLOUCHE, A.Surface science. 2013, Vol 608, pp 265-274, issn 0039-6028, 10 p.Article

Gas-phase noncovalent functionalization of carbon nanotubes with a Ni(II) tetraaza[14]annulene complexBASIUK, Vladimir A; VERONICA HENAO-HOLGUIN, Laura; ALVAREZ-ZAUCO, Edgar et al.Applied surface science. 2013, Vol 270, pp 634-647, issn 0169-4332, 14 p.Article

Atomic and electronic structure of styrene on Ge(100)DO HWAN KIM; YUN JEONGHWANG; RYOU, Junga et al.Surface science. 2011, Vol 605, Num 15-16, pp 1438-1444, issn 0039-6028, 7 p.Article

Heteroaryl substituted ansa-titanocene anti-cancer drugs derived from fulvenes and titanium dichlorideREHMANN, Franz-Josef K; CUFFE, Laurence P; MENDOZA, Oscar et al.Applied organometallic chemistry. 2005, Vol 19, Num 3, pp 293-300, issn 0268-2605, 8 p.Article

Study on the interaction between gliadins and a coumarin as molecular model system of the gliadins-anthocyanidins complexesTOZZI, Silvia; ZANNA, Nicola; TADDEI, Paola et al.Food chemistry. 2013, Vol 141, Num 4, pp 3586-3597, issn 0308-8146, 12 p.Article

Density functional theory-based analysis on O2 molecular interaction with the tri-s-triazine-based graphitic carbon nitrideASPERA, Susan Meñez; KASAI, Hideaki; KAWAI, Hiroyuki et al.Surface science. 2012, Vol 606, Num 11-12, pp 892-901, issn 0039-6028, 10 p.Article

Atomic and electronic structure of methanol on Ge( 1 0 0)DO HWAN KIM; BAE, Sung-Soo; HONG, Suklyun et al.Surface science. 2010, Vol 604, Num 2, pp 129-135, issn 0039-6028, 7 p.Article

Sintering of nickel steam-reforming catalysts: effects of temperature and steam and hydrogen pressuresSEHESTED, Jens; GETTER, Johannes A. P; REMEDIAKIS, Ioannis N et al.Journal of catalysis (Print). 2004, Vol 223, Num 2, pp 432-443, issn 0021-9517, 12 p.Article

A DFT study on the decomposition of semiperacetalsTHIEL, Werner R.Journal of molecular catalysis. A, Chemical. 2006, Vol 251, Num 1-2, pp 229-233, issn 1381-1169, 5 p.Conference Paper

NH3 adsorption and dissociation on a nanosized iron clusterLANZANI, G; LAASONEN, K.International journal of hydrogen energy. 2010, Vol 35, Num 13, pp 6571-6577, issn 0360-3199, 7 p.Article

Surface modelling on heavy atom crystalline compounds : HfO2 and UO2 fluorite structuresEVARESTOV, Robert; BANDURA, Andrei; BLOKHIN, Eugeny et al.Acta materialia. 2009, Vol 57, Num 2, pp 600-606, issn 1359-6454, 7 p.Article

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