Статті в журналах з теми "Functional Gold Clusters"
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Ferrari, Piero, and Klavs Hansen. "Computing gold cluster energies with density functional theory: the importance of correlation." Physical Chemistry Chemical Physics 23, no. 27 (2021): 14830–35. http://dx.doi.org/10.1039/d1cp02084f.
Повний текст джерелаAllen, Darnel J., Wayne E. Archibald, John A. Harper, John C. Saputo, and Daniel Torres. "Density Functional Investigation of the Inclusion of Gold Clusters on a CH3S Self-Assembled Lattice on Au(111)." Advances in Chemistry 2016 (October 17, 2016): 1–8. http://dx.doi.org/10.1155/2016/6080343.
Повний текст джерелаPriyanka, Sumali Bansal, and Keya Dharamvir. "Structure of Small Gold Clusters with Si Doping Using DFT (AunSi, n=1-10, 19)." Journal of Nano Research 24 (September 2013): 203–12. http://dx.doi.org/10.4028/www.scientific.net/jnanor.24.203.
Повний текст джерелаAlamanova, Denitsa, Yi Dong, Habib ur Rehman, Michael Springborg, and Valeri G. Grigoryan. "Structural and Electronic Properties of Gold Clusters." Computing Letters 1, no. 4 (March 6, 2005): 319–30. http://dx.doi.org/10.1163/157404005776611394.
Повний текст джерелаBulbula, Shimeles T., and 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.
Повний текст джерелаVuong, Van Quan, Jenica Marie L. Madridejos, Bálint Aradi, Bobby G. Sumpter, Gregory F. Metha, and Stephan Irle. "Density-functional tight-binding for phosphine-stabilized nanoscale gold clusters." Chemical Science 11, no. 48 (2020): 13113–28. http://dx.doi.org/10.1039/d0sc04514d.
Повний текст джерелаShi, Yong, Cuihua Zhao, Xing Chen, Cuiting Chen, Xi Zhou та Jianhua Chen. "DFT study on the electronic structure and optical properties of an Au-deposited α-Fe2O3 (001) surface". RSC Advances 12, № 9 (2022): 5447–57. http://dx.doi.org/10.1039/d1ra07933f.
Повний текст джерелаZhao, Shuang, YunLi Ren, YunLai Ren, JianJi Wang, and WeiPing Yin. "Density Functional Study of Hydrogen Binding on Gold and Silver−Gold Clusters." Journal of Physical Chemistry A 114, no. 14 (April 15, 2010): 4917–23. http://dx.doi.org/10.1021/jp910230p.
Повний текст джерелаChen, Yuheng. "Biosensors Based on Gold Nano-Clusters." Theoretical and Natural Science 4, no. 1 (April 28, 2023): 110–18. http://dx.doi.org/10.54254/2753-8818/4/20220531.
Повний текст джерелаLang, Sandra M., Thorsten M. Bernhardt, Joost M. Bakker, Bokwon Yoon, and Uzi Landman. "Methanol C–O Bond Activation by Free Gold Clusters Probed via Infrared Photodissociation Spectroscopy." Zeitschrift für Physikalische Chemie 233, no. 6 (June 26, 2019): 865–80. http://dx.doi.org/10.1515/zpch-2018-1368.
Повний текст джерелаSaxena, Shivi, and Ramakrishna Guda. "(Digital Presentation) Fabrication of Monolayer-Protected Gold Cluster Thin Films: Electrochemical and Optical Properties." ECS Meeting Abstracts MA2022-01, no. 20 (July 7, 2022): 1103. http://dx.doi.org/10.1149/ma2022-01201103mtgabs.
Повний текст джерелаZhang, Yuwei, Ping Song, Tiankai Chen, Xiaodong Liu, Tao Chen, Zhemin Wu, Yong Wang, Jianping Xie, and Weilin Xu. "Unique size-dependent nanocatalysis revealed at the single atomically precise gold cluster level." Proceedings of the National Academy of Sciences 115, no. 42 (October 1, 2018): 10588–93. http://dx.doi.org/10.1073/pnas.1805711115.
Повний текст джерелаFerrari, Piero, and Ewald Janssens. "Relative Stability of Small Silver, Platinum, and Palladium Doped Gold Cluster Cations." Applied Sciences 9, no. 8 (April 23, 2019): 1666. http://dx.doi.org/10.3390/app9081666.
Повний текст джерелаFerrari, Piero, and Ewald Janssens. "Argon Adsorption on Cationic Gold Clusters Aun+ (n ≤ 20)." Molecules 26, no. 13 (July 4, 2021): 4082. http://dx.doi.org/10.3390/molecules26134082.
Повний текст джерелаKoskinen, P., H. Häkkinen, G. Seifert, S. Sanna, Th Frauenheim, and M. Moseler. "Density-functional based tight-binding study of small gold clusters." New Journal of Physics 8 (January 30, 2006): 9. http://dx.doi.org/10.1088/1367-2630/8/1/009.
Повний текст джерелаKrüger, Sven, Mauro Stener, and Notker Rösch. "Relativistic density functional study of gold coated magnetic nickel clusters." Journal of Chemical Physics 114, no. 12 (March 22, 2001): 5207–15. http://dx.doi.org/10.1063/1.1349058.
Повний текст джерелаH�berlen, Oliver D., Sai-Cheong Chung, Notker R�sch, and Notker R�sch. "Relativistic density-functional studies of naked and ligated gold clusters." International Journal of Quantum Chemistry 52, S28 (February 12, 1994): 595–610. http://dx.doi.org/10.1002/qua.560520853.
Повний текст джерелаQi, Bin, Chenchen Wu, Xin Li, Dan Wang, Liang Sun, Bo Chen, Wenjing Liu, Haibo Zhang, and Xiaohai Zhou. "Self-Assembled Magnetic Gold Catalysts from Dual-Functional Boron Clusters." ChemCatChem 10, no. 10 (May 9, 2018): 2285–90. http://dx.doi.org/10.1002/cctc.201702011.
Повний текст джерелаZhou, Zhi-Jian, and Yan-Fei Hu. "Structures, Stabilities, and Electronic Properties of Gold Silicide Clusters: Comparison with Pure Silicon Clusters." Zeitschrift für Naturforschung A 67, no. 1-2 (February 1, 2012): 99–110. http://dx.doi.org/10.5560/zna.2011-0061.
Повний текст джерелаZhao, Ya-Ru. "Structures, Stabilities, and Electronic Properties for Rare-Earth Lanthanum Doped Gold Clusters." Zeitschrift für Naturforschung A 70, no. 2 (February 1, 2015): 91–99. http://dx.doi.org/10.1515/zna-2014-0160.
Повний текст джерелаDing, Li-Ping, Xiao-Yu Kuang, Peng Shao, Ming-Min Zhong, and Yan-Fang Li. "Structural and Electronic Properties of Stable AunIr2 (n = 1 – 7) Clusters: Comparison with Pure Gold Clusters." Zeitschrift für Naturforschung A 67, no. 12 (December 1, 2012): 729–38. http://dx.doi.org/10.5560/zna.2012-0086.
Повний текст джерелаBonačić-Koutecký, Vlasta, Jaroslav Burda, Roland Mitrić, Maofa Ge, Giuseppe Zampella, and 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, no. 7 (August 15, 2002): 3120–31. http://dx.doi.org/10.1063/1.1492800.
Повний текст джерелаHua-Ping, Mao, Wang Hong-Yan, and 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, no. 6 (June 2008): 2110–15. http://dx.doi.org/10.1088/1674-1056/17/6/028.
Повний текст джерелаWang, Huai-Qian, Xiao-Yu Kuang, and 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, no. 19 (2010): 5156. http://dx.doi.org/10.1039/b923003c.
Повний текст джерелаRanjan, Prabhat, and Tanmoy Chakraborty. "A DFT Study of Vanadium Doped Gold Nanoalloy Clusters." Key Engineering Materials 777 (August 2018): 183–89. http://dx.doi.org/10.4028/www.scientific.net/kem.777.183.
Повний текст джерелаDeka, Ajanta. "Structure and Reverse Hydrogen Spillover in Mononuclear Au0 and AuI Complexes Bonded to Faujasite Zeolite: A Density Functional Study." Journal of Catalysts 2013 (May 25, 2013): 1–5. http://dx.doi.org/10.1155/2013/467846.
Повний текст джерелаBas, B. Soulé de, M. J. Ford, and M. B. Cortie. "Melting in small gold clusters: a density functional molecular dynamics study." Journal of Physics: Condensed Matter 18, no. 1 (December 9, 2005): 55–74. http://dx.doi.org/10.1088/0953-8984/18/1/004.
Повний текст джерелаSun Lu-Shi, Zhang An-Chao, Xiang Jun, Guo Pei-Hong, Liu Zhi-Chao, and Su Sheng. "Density functional study of interation of Hg with small gold clusters." Acta Physica Sinica 60, no. 7 (2011): 073103. http://dx.doi.org/10.7498/aps.60.073103.
Повний текст джерелаZhang, Shuai, Yu Zhang, Xing Qiang Yang, Gen Quan Li, and 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, no. 25 (2019): 10030–37. http://dx.doi.org/10.1039/c9nj01821b.
Повний текст джерелаKadioglu, Y., O. Üzengi Aktürk, and M. Tomak. "Electronic and geometric structure of AuxCuy clusters studied by density functional theory." International Journal of Modern Physics C 25, no. 06 (April 23, 2014): 1450011. http://dx.doi.org/10.1142/s0129183114500119.
Повний текст джерелаAubert, 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 (June 2014): 179–83. http://dx.doi.org/10.4028/www.scientific.net/kem.617.179.
Повний текст джерелаNhat, Pham Vu, Nguyen Thanh Si, Nguyen Ngoc Khanh Anh, Long Van Duong, and Minh Tho Nguyen. "The Au12 Gold Cluster: Preference for a Non-Planar Structure." Symmetry 14, no. 8 (August 11, 2022): 1665. http://dx.doi.org/10.3390/sym14081665.
Повний текст джерелаMorgenstern, 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, no. 11 (May 26, 2022): 1815. http://dx.doi.org/10.3390/nano12111815.
Повний текст джерелаChen, Yang-Mei, Xiao-Yu Kuang, Xiao-Wei Sheng, Huai-Qian Wang, Peng Shao, and Min-Ming Zhong. "Investigation of Carbon Monoxide Adsorption on Cationic Gold- Palladium Clusters." Zeitschrift für Naturforschung A 68, no. 10-11 (November 1, 2013): 651–58. http://dx.doi.org/10.5560/zna.2013-0042.
Повний текст джерелаTang, Cui-Ming, Xiao-Xu Chen, and Xiang-Dong Yang. "Equilibrium geometries, electronic and magnetic properties of small AunNi- (n = 1-9) clusters." International Journal of Modern Physics B 28, no. 21 (June 24, 2014): 1450138. http://dx.doi.org/10.1142/s0217979214501380.
Повний текст джерелаShafai, Ghazal S., Sharan Shetty, Sailaja Krishnamurty, Vaishali Shah, and D. G. Kanhere. "Density functional investigation of the interaction of acetone with small gold clusters." Journal of Chemical Physics 126, no. 1 (January 7, 2007): 014704. http://dx.doi.org/10.1063/1.2424458.
Повний текст джерелаShi, Yuan-Kun, Zhen Hua Li, and Kang-Nian Fan. "Validation of Density Functional Methods for the Calculation of Small Gold Clusters." Journal of Physical Chemistry A 114, no. 37 (September 23, 2010): 10297–308. http://dx.doi.org/10.1021/jp105428b.
Повний текст джерелаSárosi, Menyhárt B., Petronela M. Petrar, and R. Bruce King. "Density functional study of bare gold clusters: the ten-vertex neutral system." Journal of Molecular Modeling 19, no. 10 (August 22, 2013): 4585–90. http://dx.doi.org/10.1007/s00894-013-1967-9.
Повний текст джерелаNicholson, Kenneth T., Kangzhan Zhang, Mark M. Banaszak Holl, F. Read McFeely, Gion Calzaferri, and Udo C. Pernisz. "Formation of Mixed Layers Derived from Functional Silicon Oxide Clusters on Gold." Langmuir 17, no. 25 (December 2001): 7879–85. http://dx.doi.org/10.1021/la015522m.
Повний текст джерелаNguyen Thanh, Si, Huyen Duong Thi, Thao Pham Thi Bich, Kha Tran Ni, and 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, no. 3 (August 20, 2021): xx. http://dx.doi.org/10.51316/jca.2021.058.
Повний текст джерелаFerrari, Piero, Gao-Lei Hou, Olga V. Lushchikova, Florent Calvo, Joost M. Bakker, and Ewald Janssens. "The structures of cationic gold clusters probed by far-infrared spectroscopy." Physical Chemistry Chemical Physics 22, no. 20 (2020): 11572–77. http://dx.doi.org/10.1039/d0cp01613f.
Повний текст джерелаDeka, Ajanta. "Preferential Sites for Adsorption of CO on Au6 Clusters Using Density Functional Theory Based Reactivity Descriptors." Journal of Nanoscience and Nanotechnology 20, no. 8 (August 1, 2020): 5288–93. http://dx.doi.org/10.1166/jnn.2020.18531.
Повний текст джерелаGenest, Alexander, Sven Krüger, Alexei B. Gordienko, and 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, no. 11-12 (December 1, 2004): 1585–99. http://dx.doi.org/10.1515/znb-2004-11-1232.
Повний текст джерелаFan, Daoqing, Jiale Ou, Ling Chen, Lichao Zhang, Zhiren Zheng, Haizhu Yu, Xiangming Meng, and Manzhou Zhu. "An Oligopeptide-Protected Ultrasmall Gold Nanocluster with Peroxidase-Mimicking and Cellular-Imaging Capacities." Molecules 28, no. 1 (December 21, 2022): 70. http://dx.doi.org/10.3390/molecules28010070.
Повний текст джерелаKizuka, T., and N. Tanaka. "Time-resolved high-resolution electron microscopy of structural stability in mgo clusters." Proceedings, annual meeting, Electron Microscopy Society of America 54 (August 11, 1996): 672–73. http://dx.doi.org/10.1017/s0424820100165823.
Повний текст джерелаXu, Kang-Ming, Teng Huang, Hui Wen, Yi-Rong Liu, Yan-Bo Gai, Wei-Jun Zhang, and Wei Huang. "A density functional study of phosphorus-doped gold clusters: AunP− (n = 1–8)." RSC Advances 3, no. 46 (2013): 24492. http://dx.doi.org/10.1039/c3ra43938k.
Повний текст джерелаZhu, Yue, Xin Liu, Min Pu, and Fazhi Zhang. "A density functional theory study of gold clusters supported on layered double hydroxides." Structural Chemistry 25, no. 3 (October 13, 2013): 883–93. http://dx.doi.org/10.1007/s11224-013-0355-5.
Повний текст джерелаZhao, Shuang, XinZhe Tian, JunNa Liu, YunLai Ren, YunLi Ren, and JianJi Wang. "Density Functional Study of Molecular Hydrogen Adsorption on Small Gold–Copper Binary Clusters." Journal of Cluster Science 26, no. 2 (January 24, 2015): 491–503. http://dx.doi.org/10.1007/s10876-015-0848-z.
Повний текст джерелаRanjan, Prabhat, Tanmoy Chakraborty та 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, № 1 (1 березня 2020): 97–107. http://dx.doi.org/10.2478/msp-2020-0014.
Повний текст джерелаAlmeida, 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, no. 10 (December 24, 2021): 104005. http://dx.doi.org/10.1088/1361-648x/ac40ad.
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