Artículos de revistas sobre el tema "Functional Gold Clusters"
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Ferrari, Piero y Klavs Hansen. "Computing gold cluster energies with density functional theory: the importance of correlation". Physical Chemistry Chemical Physics 23, n.º 27 (2021): 14830–35. http://dx.doi.org/10.1039/d1cp02084f.
Texto completoAllen, Darnel J., Wayne E. Archibald, John A. Harper, John C. Saputo y Daniel Torres. "Density Functional Investigation of the Inclusion of Gold Clusters on a CH3S Self-Assembled Lattice on Au(111)". Advances in Chemistry 2016 (17 de octubre de 2016): 1–8. http://dx.doi.org/10.1155/2016/6080343.
Texto completoPriyanka, Sumali Bansal y Keya Dharamvir. "Structure of Small Gold Clusters with Si Doping Using DFT (AunSi, n=1-10, 19)". Journal of Nano Research 24 (septiembre de 2013): 203–12. http://dx.doi.org/10.4028/www.scientific.net/jnanor.24.203.
Texto completoAlamanova, Denitsa, Yi Dong, Habib ur Rehman, Michael Springborg y Valeri G. Grigoryan. "Structural and Electronic Properties of Gold Clusters". Computing Letters 1, n.º 4 (6 de marzo de 2005): 319–30. http://dx.doi.org/10.1163/157404005776611394.
Texto completoBulbula, Shimeles T. y Hagos W. Zeweldi. "Density Functional Study of Electronic and Structural Properties of Gold-Cadmium Selenide/Telluride Nanoclusters". Advances in Materials Science and Engineering 2015 (2015): 1–9. http://dx.doi.org/10.1155/2015/847693.
Texto completoVuong, Van Quan, Jenica Marie L. Madridejos, Bálint Aradi, Bobby G. Sumpter, Gregory F. Metha y Stephan Irle. "Density-functional tight-binding for phosphine-stabilized nanoscale gold clusters". Chemical Science 11, n.º 48 (2020): 13113–28. http://dx.doi.org/10.1039/d0sc04514d.
Texto completoShi, Yong, Cuihua Zhao, Xing Chen, Cuiting Chen, Xi Zhou y Jianhua Chen. "DFT study on the electronic structure and optical properties of an Au-deposited α-Fe2O3 (001) surface". RSC Advances 12, n.º 9 (2022): 5447–57. http://dx.doi.org/10.1039/d1ra07933f.
Texto completoZhao, Shuang, YunLi Ren, YunLai Ren, JianJi Wang y WeiPing Yin. "Density Functional Study of Hydrogen Binding on Gold and Silver−Gold Clusters". Journal of Physical Chemistry A 114, n.º 14 (15 de abril de 2010): 4917–23. http://dx.doi.org/10.1021/jp910230p.
Texto completoChen, Yuheng. "Biosensors Based on Gold Nano-Clusters". Theoretical and Natural Science 4, n.º 1 (28 de abril de 2023): 110–18. http://dx.doi.org/10.54254/2753-8818/4/20220531.
Texto completoLang, Sandra M., Thorsten M. Bernhardt, Joost M. Bakker, Bokwon Yoon y Uzi Landman. "Methanol C–O Bond Activation by Free Gold Clusters Probed via Infrared Photodissociation Spectroscopy". Zeitschrift für Physikalische Chemie 233, n.º 6 (26 de junio de 2019): 865–80. http://dx.doi.org/10.1515/zpch-2018-1368.
Texto completoSaxena, Shivi y Ramakrishna Guda. "(Digital Presentation) Fabrication of Monolayer-Protected Gold Cluster Thin Films: Electrochemical and Optical Properties". ECS Meeting Abstracts MA2022-01, n.º 20 (7 de julio de 2022): 1103. http://dx.doi.org/10.1149/ma2022-01201103mtgabs.
Texto completoZhang, Yuwei, Ping Song, Tiankai Chen, Xiaodong Liu, Tao Chen, Zhemin Wu, Yong Wang, Jianping Xie y Weilin Xu. "Unique size-dependent nanocatalysis revealed at the single atomically precise gold cluster level". Proceedings of the National Academy of Sciences 115, n.º 42 (1 de octubre de 2018): 10588–93. http://dx.doi.org/10.1073/pnas.1805711115.
Texto completoFerrari, Piero y Ewald Janssens. "Relative Stability of Small Silver, Platinum, and Palladium Doped Gold Cluster Cations". Applied Sciences 9, n.º 8 (23 de abril de 2019): 1666. http://dx.doi.org/10.3390/app9081666.
Texto completoFerrari, Piero y Ewald Janssens. "Argon Adsorption on Cationic Gold Clusters Aun+ (n ≤ 20)". Molecules 26, n.º 13 (4 de julio de 2021): 4082. http://dx.doi.org/10.3390/molecules26134082.
Texto completoKoskinen, P., H. Häkkinen, G. Seifert, S. Sanna, Th Frauenheim y M. Moseler. "Density-functional based tight-binding study of small gold clusters". New Journal of Physics 8 (30 de enero de 2006): 9. http://dx.doi.org/10.1088/1367-2630/8/1/009.
Texto completoKrüger, Sven, Mauro Stener y Notker Rösch. "Relativistic density functional study of gold coated magnetic nickel clusters". Journal of Chemical Physics 114, n.º 12 (22 de marzo de 2001): 5207–15. http://dx.doi.org/10.1063/1.1349058.
Texto completoH�berlen, Oliver D., Sai-Cheong Chung, Notker R�sch y Notker R�sch. "Relativistic density-functional studies of naked and ligated gold clusters". International Journal of Quantum Chemistry 52, S28 (12 de febrero de 1994): 595–610. http://dx.doi.org/10.1002/qua.560520853.
Texto completoQi, Bin, Chenchen Wu, Xin Li, Dan Wang, Liang Sun, Bo Chen, Wenjing Liu, Haibo Zhang y Xiaohai Zhou. "Self-Assembled Magnetic Gold Catalysts from Dual-Functional Boron Clusters". ChemCatChem 10, n.º 10 (9 de mayo de 2018): 2285–90. http://dx.doi.org/10.1002/cctc.201702011.
Texto completoZhou, Zhi-Jian y Yan-Fei Hu. "Structures, Stabilities, and Electronic Properties of Gold Silicide Clusters: Comparison with Pure Silicon Clusters". Zeitschrift für Naturforschung A 67, n.º 1-2 (1 de febrero de 2012): 99–110. http://dx.doi.org/10.5560/zna.2011-0061.
Texto completoZhao, Ya-Ru. "Structures, Stabilities, and Electronic Properties for Rare-Earth Lanthanum Doped Gold Clusters". Zeitschrift für Naturforschung A 70, n.º 2 (1 de febrero de 2015): 91–99. http://dx.doi.org/10.1515/zna-2014-0160.
Texto completoDing, Li-Ping, Xiao-Yu Kuang, Peng Shao, Ming-Min Zhong y Yan-Fang Li. "Structural and Electronic Properties of Stable AunIr2 (n = 1 – 7) Clusters: Comparison with Pure Gold Clusters". Zeitschrift für Naturforschung A 67, n.º 12 (1 de diciembre de 2012): 729–38. http://dx.doi.org/10.5560/zna.2012-0086.
Texto completoBonačić-Koutecký, Vlasta, Jaroslav Burda, Roland Mitrić, Maofa Ge, Giuseppe Zampella y Piercarlo Fantucci. "Density functional study of structural and electronic properties of bimetallic silver–gold clusters: Comparison with pure gold and silver clusters". Journal of Chemical Physics 117, n.º 7 (15 de agosto de 2002): 3120–31. http://dx.doi.org/10.1063/1.1492800.
Texto completoHua-Ping, Mao, Wang Hong-Yan y Sheng Yong. "Density functional study on structural and electronic properties of bimetallic gold–yttrium clusters: comparison with pure gold and yttrium clusters". Chinese Physics B 17, n.º 6 (junio de 2008): 2110–15. http://dx.doi.org/10.1088/1674-1056/17/6/028.
Texto completoWang, Huai-Qian, Xiao-Yu Kuang y Hui-Fang Li. "Density functional study of structural and electronic properties of bimetallic copper–gold clusters: comparison with pure and doped gold clusters". Physical Chemistry Chemical Physics 12, n.º 19 (2010): 5156. http://dx.doi.org/10.1039/b923003c.
Texto completoRanjan, Prabhat y Tanmoy Chakraborty. "A DFT Study of Vanadium Doped Gold Nanoalloy Clusters". Key Engineering Materials 777 (agosto de 2018): 183–89. http://dx.doi.org/10.4028/www.scientific.net/kem.777.183.
Texto completoDeka, Ajanta. "Structure and Reverse Hydrogen Spillover in Mononuclear Au0 and AuI Complexes Bonded to Faujasite Zeolite: A Density Functional Study". Journal of Catalysts 2013 (25 de mayo de 2013): 1–5. http://dx.doi.org/10.1155/2013/467846.
Texto completoBas, B. Soulé de, M. J. Ford y M. B. Cortie. "Melting in small gold clusters: a density functional molecular dynamics study". Journal of Physics: Condensed Matter 18, n.º 1 (9 de diciembre de 2005): 55–74. http://dx.doi.org/10.1088/0953-8984/18/1/004.
Texto completoSun Lu-Shi, Zhang An-Chao, Xiang Jun, Guo Pei-Hong, Liu Zhi-Chao y Su Sheng. "Density functional study of interation of Hg with small gold clusters". Acta Physica Sinica 60, n.º 7 (2011): 073103. http://dx.doi.org/10.7498/aps.60.073103.
Texto completoZhang, Shuai, Yu Zhang, Xing Qiang Yang, Gen Quan Li y Zhi Wen Lu. "Probing the structures and electronic properties of anionic and neutral BiAun−1,0 (n = 2–20) clusters: a pyramid-like BiAu13 cluster". New Journal of Chemistry 43, n.º 25 (2019): 10030–37. http://dx.doi.org/10.1039/c9nj01821b.
Texto completoKadioglu, Y., O. Üzengi Aktürk y M. Tomak. "Electronic and geometric structure of AuxCuy clusters studied by density functional theory". International Journal of Modern Physics C 25, n.º 06 (23 de abril de 2014): 1450011. http://dx.doi.org/10.1142/s0129183114500119.
Texto completoAubert, Tangi, Nicolas Nerambourg, Chrystelle Neaime, Francisco Cabello-Hurtado, Marie Andrée Esnault, Dominique Lebret-Chauvel, Sylvie Jeanne et al. "Multi-Functional Silica Nanoparticles Based on Metal Atom Clusters: From Design to Toxicological Studies". Key Engineering Materials 617 (junio de 2014): 179–83. http://dx.doi.org/10.4028/www.scientific.net/kem.617.179.
Texto completoNhat, Pham Vu, Nguyen Thanh Si, Nguyen Ngoc Khanh Anh, Long Van Duong y Minh Tho Nguyen. "The Au12 Gold Cluster: Preference for a Non-Planar Structure". Symmetry 14, n.º 8 (11 de agosto de 2022): 1665. http://dx.doi.org/10.3390/sym14081665.
Texto completoMorgenstern, Annika, Rico Thomas, Apoorva Sharma, Marcus Weber, Oleksandr Selyshchev, Ilya Milekhin, Doreen Dentel et al. "Deposition of Nanosized Amino Acid Functionalized Bismuth Oxido Clusters on Gold Surfaces". Nanomaterials 12, n.º 11 (26 de mayo de 2022): 1815. http://dx.doi.org/10.3390/nano12111815.
Texto completoChen, Yang-Mei, Xiao-Yu Kuang, Xiao-Wei Sheng, Huai-Qian Wang, Peng Shao y Min-Ming Zhong. "Investigation of Carbon Monoxide Adsorption on Cationic Gold- Palladium Clusters". Zeitschrift für Naturforschung A 68, n.º 10-11 (1 de noviembre de 2013): 651–58. http://dx.doi.org/10.5560/zna.2013-0042.
Texto completoTang, Cui-Ming, Xiao-Xu Chen y Xiang-Dong Yang. "Equilibrium geometries, electronic and magnetic properties of small AunNi- (n = 1-9) clusters". International Journal of Modern Physics B 28, n.º 21 (24 de junio de 2014): 1450138. http://dx.doi.org/10.1142/s0217979214501380.
Texto completoShafai, Ghazal S., Sharan Shetty, Sailaja Krishnamurty, Vaishali Shah y D. G. Kanhere. "Density functional investigation of the interaction of acetone with small gold clusters". Journal of Chemical Physics 126, n.º 1 (7 de enero de 2007): 014704. http://dx.doi.org/10.1063/1.2424458.
Texto completoShi, Yuan-Kun, Zhen Hua Li y Kang-Nian Fan. "Validation of Density Functional Methods for the Calculation of Small Gold Clusters". Journal of Physical Chemistry A 114, n.º 37 (23 de septiembre de 2010): 10297–308. http://dx.doi.org/10.1021/jp105428b.
Texto completoSárosi, Menyhárt B., Petronela M. Petrar y R. Bruce King. "Density functional study of bare gold clusters: the ten-vertex neutral system". Journal of Molecular Modeling 19, n.º 10 (22 de agosto de 2013): 4585–90. http://dx.doi.org/10.1007/s00894-013-1967-9.
Texto completoNicholson, Kenneth T., Kangzhan Zhang, Mark M. Banaszak Holl, F. Read McFeely, Gion Calzaferri y Udo C. Pernisz. "Formation of Mixed Layers Derived from Functional Silicon Oxide Clusters on Gold". Langmuir 17, n.º 25 (diciembre de 2001): 7879–85. http://dx.doi.org/10.1021/la015522m.
Texto completoNguyen Thanh, Si, Huyen Duong Thi, Thao Pham Thi Bich, Kha Tran Ni y Nhat Pham Vu. "A computational study of mercaptopurine and thioguanine binding to gold clusters Aun (n = 3, 4)". Vietnam Journal of Catalysis and Adsorption 10, n.º 3 (20 de agosto de 2021): xx. http://dx.doi.org/10.51316/jca.2021.058.
Texto completoFerrari, Piero, Gao-Lei Hou, Olga V. Lushchikova, Florent Calvo, Joost M. Bakker y Ewald Janssens. "The structures of cationic gold clusters probed by far-infrared spectroscopy". Physical Chemistry Chemical Physics 22, n.º 20 (2020): 11572–77. http://dx.doi.org/10.1039/d0cp01613f.
Texto completoDeka, Ajanta. "Preferential Sites for Adsorption of CO on Au6 Clusters Using Density Functional Theory Based Reactivity Descriptors". Journal of Nanoscience and Nanotechnology 20, n.º 8 (1 de agosto de 2020): 5288–93. http://dx.doi.org/10.1166/jnn.2020.18531.
Texto completoGenest, Alexander, Sven Krüger, Alexei B. Gordienko y Notker Rösch. "Gold-Thiolate Clusters: A Relativistic Density Functional Study of the Model Species Au13(SR)n, R = H, CH3, n = 4, 6, 8". Zeitschrift für Naturforschung B 59, n.º 11-12 (1 de diciembre de 2004): 1585–99. http://dx.doi.org/10.1515/znb-2004-11-1232.
Texto completoFan, Daoqing, Jiale Ou, Ling Chen, Lichao Zhang, Zhiren Zheng, Haizhu Yu, Xiangming Meng y Manzhou Zhu. "An Oligopeptide-Protected Ultrasmall Gold Nanocluster with Peroxidase-Mimicking and Cellular-Imaging Capacities". Molecules 28, n.º 1 (21 de diciembre de 2022): 70. http://dx.doi.org/10.3390/molecules28010070.
Texto completoKizuka, T. y N. Tanaka. "Time-resolved high-resolution electron microscopy of structural stability in mgo clusters". Proceedings, annual meeting, Electron Microscopy Society of America 54 (11 de agosto de 1996): 672–73. http://dx.doi.org/10.1017/s0424820100165823.
Texto completoXu, Kang-Ming, Teng Huang, Hui Wen, Yi-Rong Liu, Yan-Bo Gai, Wei-Jun Zhang y Wei Huang. "A density functional study of phosphorus-doped gold clusters: AunP− (n = 1–8)". RSC Advances 3, n.º 46 (2013): 24492. http://dx.doi.org/10.1039/c3ra43938k.
Texto completoZhu, Yue, Xin Liu, Min Pu y Fazhi Zhang. "A density functional theory study of gold clusters supported on layered double hydroxides". Structural Chemistry 25, n.º 3 (13 de octubre de 2013): 883–93. http://dx.doi.org/10.1007/s11224-013-0355-5.
Texto completoZhao, Shuang, XinZhe Tian, JunNa Liu, YunLai Ren, YunLi Ren y JianJi Wang. "Density Functional Study of Molecular Hydrogen Adsorption on Small Gold–Copper Binary Clusters". Journal of Cluster Science 26, n.º 2 (24 de enero de 2015): 491–503. http://dx.doi.org/10.1007/s10876-015-0848-z.
Texto completoRanjan, Prabhat, Tanmoy Chakraborty y Ajay Kumar. "Density functional study of structures, stabilities and electronic properties of AgAunλ(λ=0,±1;n=1-12){\rm{AgAu}}_n^\lambda \left( {\lambda = 0, \pm 1;n = 1 - 12} \right) clusters: comparison with pure gold clusters". Materials Science-Poland 38, n.º 1 (1 de marzo de 2020): 97–107. http://dx.doi.org/10.2478/msp-2020-0014.
Texto completoAlmeida, Kortney, Katerina Chagoya, Alan Felix, Tao Jiang, Duy Le, Takat B. Rawal, Prescott E. Evans et al. "Methanol carbonylation to acetaldehyde on Au particles supported by single-layer MoS2 grown on silica". Journal of Physics: Condensed Matter 34, n.º 10 (24 de diciembre de 2021): 104005. http://dx.doi.org/10.1088/1361-648x/ac40ad.
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