Investigation of the adsorption of amino acids on Pd(111): A density functional theory studyJAMES, Joanna N; JEONG WOO HAN; SHOLL, David S et al.Applied surface science. 2014, Vol 301, pp 199-207, issn 0169-4332, 9 p.Article

Density functional theory study on direct catalytic decomposition of ammonia on Pd (111) surfaceZHAO JIANG; QI PAN; MENGMENG LI et al.Applied surface science. 2014, Vol 292, pp 494-499, issn 0169-4332, 6 p.Article

The adsorption and dissociation of H₂S on Cu(100) surface: A DTF studySHENGHUI CHEN; SHUANGQING SUN; BINGJIE LIAN et al.Surface science. 2014, Vol 620, pp 51-58, issn 0039-6028, 8 p.Article

Adsorption and decomposition of NH₃ on Ir(111): A density functional theory studyWUYING HUANG; CHUN CHENG; ERYIN FENG et al.Surface science. 2013, Vol 616, pp 29-35, issn 0039-6028, 7 p.Article

Adsorption of formaldehyde and formyl intermediates on Pt, PtRu-, and PtRuMo-alloy surfaces: A density functional studyTRI CAHYANTO, Wahyu; SHUKRI, Ganes; KEMAL AGUSTA, Mohammad et al.Applied surface science. 2013, Vol 266, pp 405-409, issn 0169-4332, 5 p.Article

The dehydrogenation of CH₄ on Rh(111), Rh(110) and Rh(100) surfaces: A density functional theory studyBAOJUN WANG; LUZHI SONG; RIGUANG ZHANG et al.Applied surface science. 2012, Vol 258, Num 8, pp 3714-3722, issn 0169-4332, 9 p.Article

CH₄ dissociation on NiCo (1 1 1) surface: A first-principles studyHONGYAN LIU; RIGUANG ZHANG; RUIXIA YAN et al.Applied surface science. 2011, Vol 257, Num 21, pp 8955-8964, issn 0169-4332, 10 p.Article

Ag-Cu alloy surfaces in an oxidizing environment: A first-principles studyPICCININ, Simone; STAMPFL, Catherine; SCHEFFLER, Matthias et al.Surface science. 2009, Vol 603, Num 10-12, pp 1467-1475, issn 0039-6028, 9 p.Article

The properties of the Pt₆/BaO(1 0 0) interface and NO adsorption at the interfaceZONGXIAN YANG; DONGWEI MA.Surface science. 2009, Vol 603, Num 16, pp 2413-2421, issn 0039-6028, 9 p.Article

Adsorption of pairs of NO_x molecules on single-walled carbon nanotubes and formation of NO + N0₃ from NO₂JIAYU DAI; GIANNOZZI, Paolo; JIANMIN YUAN et al.Surface science. 2009, Vol 603, Num 21, pp 3234-3238, issn 0039-6028, 5 p.Article

Electronic properties of single-molecule junction: Effect of the molecular distortionGAO, W; ZHAO, M; JIANG, Q et al.Applied surface science. 2009, Vol 255, Num 22, pp 9259-9263, issn 0169-4332, 5 p.Article

Mechanistic investigations on the adsorption of thiophene over Zn₃NiO₄ bimetallic oxide clusterSHENGLI ZHANG; YONGHONG ZHANG; SHIPING HUANG et al.Applied surface science. 2012, Vol 258, Num 24, pp 10148-10153, issn 0169-4332, 6 p.Article

The kaolinite (0 0 1) polar basal planeXIAO LIANG HU; MICHAELIDES, Angelos.Surface science. 2010, Vol 604, Num 2, pp 111-117, issn 0039-6028, 7 p.Article

LDA+U evaluation of the stability of low-index facets of LaCoO₃ perovskiteCHEN, Zhengzheng; KIM, Chang H; THOMPSON, Levi T et al.Surface science. 2014, Vol 619, pp 71-76, issn 0039-6028, 6 p.Article

Density functional study the interaction of oxygen molecule with defect sites of grapheneXUEJUN QI; XIN GUO; CHUGUANG ZHENG et al.Applied surface science. 2012, Vol 259, pp 195-200, issn 0169-4332, 6 p.Article

Topologically induced surface electron state on Si(111) surfacesTAKAGI, Yoshiteru; OKADA, Susumu.Surface science. 2008, Vol 602, Num 17, pp 2876-2879, issn 0039-6028, 4 p.Article

NH₃ on Si(001) : Can Gaussian cluster and planewave slab models agree on energetics?WARSCHKOW, O; MCDONELL, T. L; MARKS, N. A et al.Surface science. 2007, Vol 601, Num 14, pp 3020-3033, issn 0039-6028, 14 p.Article

Calculation of the work function with a local basis setDOLL, K.Surface science. 2006, Vol 600, Num 24, issn 0039-6028, L321-L325Article

Structural, electronic and magnetic properties of vacancies in single-walled carbon nanotubesORELLANA, W; FUENTEALBA, P.Surface science. 2006, Vol 600, Num 18, pp 4305-4309, issn 0039-6028, 5 p.Conference Paper

CO adsorption on Cu(111) and Cu(001) surfaces : Improving site preference in DFT calculationsGAJDOS, Marek; HAFNER, Jürgen.Surface science. 2005, Vol 590, Num 2-3, pp 117-126, issn 0039-6028, 10 p.Article

Investigating energetics of Au₈ on graphene/Ru(0001) using a genetic algorithm and density functional theoryTENG, Dieh; VILHELMSEN, Lasse B; SHOLL, David S et al.Surface science. 2014, Vol 628, pp 98-103, issn 0039-6028, 6 p.Article

Contributions of dispersion forces to R-3-methylcyclohexanone physisorption on low and high Miller index Cu surfacesWEI, Daniel S; MHATRE, Bharat S; GELLMAN, Andrew J et al.Surface science. 2014, Vol 629, pp 35-40, issn 0039-6028, 6 p.Article

First-principles investigation of H₂O on Hf0₂ (110) surfaceLU LI; XIN HUANG; ZHANG, Yong-Fan et al.Applied surface science. 2013, Vol 264, pp 424-432, issn 0169-4332, 9 p.Article

First principles and experimental study of NH₃ adsorptions on MnO_x surfaceDE FANG; FENG HE; DA LI et al.Applied surface science. 2013, Vol 285, pp 215-219, issn 0169-4332, 5 p., bArticle

First-principles study of the adsorption of lysine on hydroxyapatite (100) surfaceZHAOYANG LOU; QUN ZENG; XIANG CHU et al.Applied surface science. 2012, Vol 258, Num 11, pp 4911-4916, issn 0169-4332, 6 p.Article