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Functionalized Boranes for Hydrogen StoragePATHAK, Biswarup; PRADHAN, Kalpataru; HUSSAIN, Tanveer et al.ChemPhysChem (Print). 2012, Vol 13, Num 1, pp 300-304, issn 1439-4235, 5 p.Article

Possible binding sites for biotin stabilized water soluble Ag nanoparticles : An experimental and theoretical studyHEGDE, Shweta; KAPOOR, Sudhir; NAUMOV, Sergej et al.Journal of nanoscience and nanotechnology (Print). 2006, Vol 6, Num 8, pp 2547-2553, issn 1533-4880, 7 p.Article

Theoretical probing of inelastic spin-excitations in adatoms on surfaces : Spins on SurfacesLOUNIS, Samir; SCHWEFLINGHAUS, Benedikt; DOS SANTOS DIAS, Manuel et al.Surface science. 2014, Vol 630, pp 317-324, issn 0039-6028, 8 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

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

Molecular level investigation of 2,2,6,6-tetramethyl-3,5-heptanedione on Si(100)-2 x 1 : Spectroscopic and computational studiesPERRINE, Kathryn A; SKLIAR, Dimitri B; WILLIS, Brian G et al.Surface science. 2008, Vol 602, Num 13, pp 2222-2231, issn 0039-6028, 10 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

A Bipodal Dicyano Anchor Unit for Single-Molecule Spintronic DevicesTSUJI, Yuta; SEMOTO, Takayuki; YOSHIZAWA, Kazunari et al.ChemPhysChem (Print). 2013, Vol 14, Num 11, pp 2470-2475, issn 1439-4235, 6 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

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

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

A comparative study of ethylene oxide and diethylene dioxide adsorption on silicon (001)FERRAZ, A. C; MIOTTO, R.Surface science. 2007, Vol 601, Num 13, pp 2576-2579, issn 0039-6028, 4 p.Conference Paper

Theoretical study of SO₂ adsorption on goethite (110) surfaceZUBIET, Carolina E; FORTUNATO, Leandro F; BELELLI, Patricia G et al.Applied surface science. 2014, Vol 314, pp 558-563, issn 0169-4332, 6 p.Article

Carotenoids as a Shortcut for Chlorophyll Soret-to-Q Band Energy FlowGÖTZE, Jan P; KRÖNER, Dominik; BANERJEE, Shiladitya et al.ChemPhysChem (Print). 2014, Vol 15, Num 15, pp 3392-3401, issn 1439-4235, 10 p.Article

Mounting a hydrogenase analog on calixarenes : designing a nature-inspired solid state catalyst for fuel cells by density functional theorySY DY, Eben; KASAI, Hideaki; REDSHAW, Carl et al.Surface and interface analysis. 2008, Vol 40, Num 6-7, pp 1092-1097, issn 0142-2421, 6 p.Conference Paper

Theoretical Study on the Rectifying Performance of Organoimido Derivatives of HexamolybdatesSHIZHENG WEN; GUOCHUN YANG; LIKAI YAN et al.ChemPhysChem (Print). 2013, Vol 14, Num 3, pp 610-617, issn 1439-4235, 8 p.Article

Adsorption and diffusion property of a hydrogen atom on a Pd₃Ag(111) surfaceOZAWA, N; ARBOLEDA, N. B; NAKANISHI, H et al.Surface and interface analysis. 2008, Vol 40, Num 6-7, pp 1108-1112, issn 0142-2421, 5 p.Conference Paper

Pseudorotation of natural and chemically modified biological phosphoranes: Implications for RNA catalysisSILVA LOPEZ, Carlos; NIETO FAZA, Olalla; GREGERSEN, Brent A et al.ChemPhysChem (Print). 2004, Vol 5, Num 7, pp 1045-1049, issn 1439-4235, 5 p.Article

Self-assembled line growth of allyl alcohol on the H-terminated Si(100)-(2×1) surfaceCHOI, Yun-Ki; CHOI, Jin-Ho; CHO, Jun-Hyung et al.Surface science. 2012, Vol 606, Num 3-4, pp 461-463, issn 0039-6028, 3 p.Article

A DFT study of the transition metal promotion effect on ethylene chemisorption on Co(0 0 01 )JUN CHENG; HU, P; ELLIS, Peter et al.Surface science. 2009, Vol 603, Num 17, pp 2752-2758, issn 0039-6028, 7 p.Article

Water on the hydroxylated (001) surface of kaolinite : From monomer adsorption to a flat 2D wetting layerXIAO LIANG HU; MICHAELIDES, Angelos.Surface science. 2008, Vol 602, Num 4, pp 960-974, issn 0039-6028, 15 p.Article

A van der Waals density functional study of the adsorption of ethanol on the α-alumina (0001) surfaceJOHNSTON, Karen.Surface science. 2014, Vol 621, pp 16-22, issn 0039-6028, 7 p.Article

Strain-Free [N]Ferrocenylenes and Cyclo[10]ferrocenyleneWU, Hai-Shun; CAIHONG GUO; JIANFENG JIA et al.ChemPhysChem (Print). 2013, Vol 14, Num 17, pp 3902-3905, issn 1439-4235, 4 p.Article

A Computational Study on 3-Azonia-, 3-Phosphonia-, and 3-Arsoniaspiro[2.2]pentanes and Related Three-Membered HeterocyclesTRUJILLO, Cristina; SANCHEZ-SANZ, Goar; ALKORTA, Ibon et al.ChemPhysChem (Print). 2014, Vol 15, Num 16, pp 3493-3501, issn 1439-4235, 9 p.Article