Artículos de revistas sobre el tema "Metal Clusters - Structures - Computational Study"
Crea una cita precisa en los estilos APA, MLA, Chicago, Harvard y otros
Consulte los 50 mejores artículos de revistas para su investigación sobre el tema "Metal Clusters - Structures - Computational Study".
Junto a cada fuente en la lista de referencias hay un botón "Agregar a la bibliografía". Pulsa este botón, y generaremos automáticamente la referencia bibliográfica para la obra elegida en el estilo de cita que necesites: APA, MLA, Harvard, Vancouver, Chicago, etc.
También puede descargar el texto completo de la publicación académica en formato pdf y leer en línea su resumen siempre que esté disponible en los metadatos.
Explore artículos de revistas sobre una amplia variedad de disciplinas y organice su bibliografía correctamente.
BORRMANN, PETER, BERND DIEKMANN, EBERHARD R. HILF y DAVID TOMÁNEK. "MAGNETISM OF SMALL TRANSITION-METAL CLUSTERS AND EFFECTS OF ISOMERIZATION". Surface Review and Letters 03, n.º 01 (febrero de 1996): 463–66. http://dx.doi.org/10.1142/s0218625x96000838.
Texto completoFotopoulos, Vasileios, David Mora-Fonz, Manuel Kleinbichler, Rishi Bodlos, Ernst Kozeschnik, Lorenz Romaner y Alexander L. Shluger. "Structure and Migration Mechanisms of Small Vacancy Clusters in Cu: A Combined EAM and DFT Study". Nanomaterials 13, n.º 9 (25 de abril de 2023): 1464. http://dx.doi.org/10.3390/nano13091464.
Texto completoMarques, J. M. C., F. B. Pereira, J. L. Llanio-Trujillo, P. E. Abreu, M. Albertí, A. Aguilar, F. Pirani y M. Bartolomei. "A global optimization perspective on molecular clusters". Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 375, n.º 2092 (20 de marzo de 2017): 20160198. http://dx.doi.org/10.1098/rsta.2016.0198.
Texto completoNgan, Vu Thi, Philipp Gruene, Pieterjan Claes, Ewald Janssens, André Fielicke, Minh Tho Nguyen y Peter Lievens. "Disparate Effects of Cu and V on Structures of Exohedral Transition Metal-Doped Silicon Clusters: A Combined Far-Infrared Spectroscopic and Computational Study". Journal of the American Chemical Society 132, n.º 44 (10 de noviembre de 2010): 15589–602. http://dx.doi.org/10.1021/ja105099u.
Texto completoCatlow, C. R. A., S. A. French, A. A. Sokol y J. M. Thomas. "Computational approaches to the determination of active site structures and reaction mechanisms in heterogeneous catalysts". Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 363, n.º 1829 (15 de abril de 2005): 913–36. http://dx.doi.org/10.1098/rsta.2004.1529.
Texto completoLOPES, JULIANA FEDOCE, JÚLIO C. S. DA SILVA, WILLIAN R. ROCHA, WAGNER B. DE ALMEIDA y HÉLIO F. DOS SANTOS. "QUANTUM CHEMICAL STUDY OF CISPLATIN-WATER COMPLEXES: AN INVESTIGATION OF ELECTRON CORRELATION EFFECTS". Journal of Theoretical and Computational Chemistry 10, n.º 03 (junio de 2011): 371–91. http://dx.doi.org/10.1142/s0219633611006517.
Texto completoZhao, Run-Ning, Yanhong Yuan y Ju-Guang Han. "Transition metal Mo-doped boron clusters: A computational investigation". Journal of Theoretical and Computational Chemistry 13, n.º 05 (agosto de 2014): 1450036. http://dx.doi.org/10.1142/s0219633614500369.
Texto completoAddicoat, Matthew A. y Gregory F. Metha. "Computational Study of CO Reactivity with Nb3X Heteronuclear Clusters". Australian Journal of Chemistry 61, n.º 11 (2008): 854. http://dx.doi.org/10.1071/ch08269.
Texto completoChen, Sian, Haining Wang, Shanfu Lu y Yan Xiang. "Monolayer MoS2 film supported metal electrocatalysts: a DFT study". RSC Advances 6, n.º 109 (2016): 107836–39. http://dx.doi.org/10.1039/c6ra23995a.
Texto completoÁlvarez-Zapatero, Pablo y Andrés Aguado. "Computational characterisation of structure and metallicity in small neutral and singly-charged cadmium clusters". Physical Chemistry Chemical Physics 21, n.º 23 (2019): 12321–34. http://dx.doi.org/10.1039/c9cp01814j.
Texto completoGrimes, Robin W. y David Onwood. "Computational study of the formation of metal-oxide diatomics and clusters". Journal of the Chemical Society, Faraday Transactions 86, n.º 2 (1990): 233. http://dx.doi.org/10.1039/ft9908600233.
Texto completoWu, Ping, Min Huang, Naiqiang Yin y Peng Li. "The Modulation Effect of MoS2 Monolayers on the Nucleation and Growth of Pd Clusters: First-Principles Study". Nanomaterials 9, n.º 3 (8 de marzo de 2019): 395. http://dx.doi.org/10.3390/nano9030395.
Texto completoMohajeri, Afshan y Mahsa Ebadi. "Nano Structures of Group 13–15 Mixed Heptamer Clusters: A Computational Study". Journal of Physical Chemistry A 116, n.º 18 (27 de abril de 2012): 4678–86. http://dx.doi.org/10.1021/jp302323x.
Texto completoJeon, In-Sun, Doo-Sik Ahn, Sung-Woo Park, Sungyul Lee y Bongsoo Kim. "Structures and isomerization of neutral and zwitterion serine-water clusters: Computational study". International Journal of Quantum Chemistry 101, n.º 1 (19 de octubre de 2004): 55–66. http://dx.doi.org/10.1002/qua.20269.
Texto completoWang, Youliang y John R. Gunn. "Computational study on small water clusters using a semiempirical valence bond approach". Canadian Journal of Chemistry 77, n.º 3 (1 de marzo de 1999): 367–77. http://dx.doi.org/10.1139/v99-021.
Texto completoBui, Thanh Tho, Khung Moc Trang y Hong Van Nguyen. "Theoretical study on structures and magnetic properties of NaxV (x=1-12) atomic clusters". Science and Technology Development Journal 18, n.º 2 (30 de junio de 2015): 177–86. http://dx.doi.org/10.32508/stdj.v18i2.1183.
Texto completoHan, Ju-Guang y Frank Hagelberg. "Recent progress in the computational study of transition metal doped Si clusters". Computing Letters 1, n.º 4 (6 de marzo de 2005): 230–39. http://dx.doi.org/10.1163/157404005776611493.
Texto completoDerepas, A. L., J. M. Soudan, V. Brenner, J. P. Dognon y Ph Millié. "Can we understand the different coordinations and structures of closed-shell metal cation-water clusters?" Journal of Computational Chemistry 23, n.º 10 (21 de mayo de 2002): 1013–30. http://dx.doi.org/10.1002/jcc.10063.
Texto completoSharma, Divya y Martin J. Paterson. "Ground and excited states of naphthalene–water (naphtha–W6) clusters: a computational study". RSC Advances 5, n.º 36 (2015): 28281–91. http://dx.doi.org/10.1039/c5ra01894c.
Texto completoXUE, Z. Q., H. J. GAO, W. M. LIU, Y. W. LIU, Q. D. WU y S. J. PANG. "STUDY OF METALLIC CLUSTERS IN ORGANIC THIN FILMS". Surface Review and Letters 03, n.º 01 (febrero de 1996): 1029–32. http://dx.doi.org/10.1142/s0218625x96001844.
Texto completoZHAO, JIJUN, XIAOSHUANG CHEN, FENGQI LIU y GUANGHOU WANG. "ELECTRON–PHONON INTERACTION AND ELECTRONIC STRUCTURE OF SMALL METAL CLUSTERS". Surface Review and Letters 03, n.º 01 (febrero de 1996): 489–92. http://dx.doi.org/10.1142/s0218625x96000887.
Texto completoWu Li-Jun, Sui Qiang-Tao, Zhang Duo, Zhang Lin y Qi Yang. "Computational study of structures and electronic properties of SimGen (m+n=9) clusters". Acta Physica Sinica 64, n.º 4 (2015): 042102. http://dx.doi.org/10.7498/aps.64.042102.
Texto completoBui, Thanh Tho, Khung Moc Trang y Hong Van Nguyen. "Study on structures and electronic properties of NaxV (x=1-12) atomic clusters". Science and Technology Development Journal 17, n.º 4 (31 de diciembre de 2014): 83–91. http://dx.doi.org/10.32508/stdj.v17i4.1559.
Texto completoPANDEY, ANOOP, APOORVA DWIVEDI, SAIKAT MUKHOPADHYAY y NEERAJ MISRA. "AB INITIO STUDY OF DIFFERENT PROBABLE STRUCTURES OF GROUP III ANTIMONIDES". Journal of Theoretical and Computational Chemistry 12, n.º 06 (septiembre de 2013): 1350056. http://dx.doi.org/10.1142/s0219633613500569.
Texto completoWang, Jing, Yang Zhao, Jun Li, Hai-Cai Huang, Jing Chen y Shi-Bo Cheng. "Unveiling the electronic structures and ligation effect of the superatom–polymeric zirconium oxide clusters: a computational study". Physical Chemistry Chemical Physics 21, n.º 27 (2019): 14865–72. http://dx.doi.org/10.1039/c9cp01870k.
Texto completoNguyen, Hong Van, That Van Nguyen, Bong Thi Le, Huong Thi Thanh Do y Truc Thi Thanh Huynh. "Theoretical study on structures and electronic properties of Na8TM clusters (TM = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn)". Science and Technology Development Journal - Natural Sciences 2, n.º 2 (16 de mayo de 2019): 54–61. http://dx.doi.org/10.32508/stdjns.v2i2.734.
Texto completoHuu, Tho y Tam Nguyen Minh. "A theoretical study of the first-row transition metal doped germanium clusters Ge14M". Journal of Military Science and Technology 87 (25 de mayo de 2023): 50–58. http://dx.doi.org/10.54939/1859-1043.j.mst.87.2023.50-58.
Texto completoPrakash, Rini, Jean-François Halet y Sundargopal Ghosh. "Polyhedral [M2B5] Metallaborane Clusters and Derivatives: An Overview of Their Structural Features and Chemical Bonding". Molecules 25, n.º 14 (12 de julio de 2020): 3179. http://dx.doi.org/10.3390/molecules25143179.
Texto completoQin, Zhengbo, Jiangle Zhang, Chen Wang, Lin Wang y Zichao Tang. "Does gold behaves as hydrogen? A joint theoretical and experimental study". Nanoscale Advances 2, n.º 2 (2020): 844–50. http://dx.doi.org/10.1039/c9na00780f.
Texto completoMin, Ahreum, Ahreum Ahn, Cheol Joo Moon, Ji Hoon Lee, Yeon Guk Seong, Seong Keun Kim y Myong Yong Choi. "Conformational structures of jet-cooled acetaminophen–water clusters: a gas phase spectroscopic and computational study". Physical Chemistry Chemical Physics 19, n.º 6 (2017): 4840–48. http://dx.doi.org/10.1039/c6cp06863d.
Texto completoLi, Xiaojun y Denghui Xing. "Systematic Theoretical Study of Electronic Structures and Stability of Transition-Metal-Adsorbed Graphdiyne Clusters". Journal of Physical Chemistry C 123, n.º 14 (15 de marzo de 2019): 8843–50. http://dx.doi.org/10.1021/acs.jpcc.8b11572.
Texto completoRen, Fang-Qin, Fu-Qiang Zhang, Ya-Fen Li, Jin Lv y Wen-Jin Ma. "Density functional study of the structural, stability, magnetic properties and chirality of small-sized AlxZry (x+y≤9) alloy clusters". Journal of Theoretical and Computational Chemistry 16, n.º 07 (noviembre de 2017): 1750058. http://dx.doi.org/10.1142/s0219633617500584.
Texto completoMartinez, Arturo I. "Computational Study of Organometallic Structures for Hydrogen Storage, Effects of Ligands". Journal of Nano Research 5 (febrero de 2009): 113–19. http://dx.doi.org/10.4028/www.scientific.net/jnanor.5.113.
Texto completoBatra, Prinka, Ritu Gaba, Upasana Issar y Rita Kakkar. "Structures and Stabilities of Alkaline Earth Metal Oxide Nanoclusters: A DFT Study". Journal of Theoretical Chemistry 2013 (24 de octubre de 2013): 1–14. http://dx.doi.org/10.1155/2013/720794.
Texto completoTran, Dung T. y Roy L. Johnston. "Study of 40-atom Pt–Au clusters using a combined empirical potential-density functional approach". Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 467, n.º 2131 (9 de marzo de 2011): 2004–19. http://dx.doi.org/10.1098/rspa.2010.0562.
Texto completoGutsev, G. L., K. G. Belay, K. V. Bozhenko, L. G. Gutsev y B. R. Ramachandran. "A comparative study of small 3d-metal oxide (FeO)n, (CoO)n, and (NiO)n clusters". Physical Chemistry Chemical Physics 18, n.º 40 (2016): 27858–67. http://dx.doi.org/10.1039/c6cp03241a.
Texto completoKua, Jeremy y Keaton M. Tomlin. "Computational Study of Multiple-Decker Sandwich and Rice-Ball Structures of Neutral Titanium−Benzene Clusters". Journal of Physical Chemistry A 110, n.º 43 (noviembre de 2006): 11988–94. http://dx.doi.org/10.1021/jp065341z.
Texto completoLi, Qing-Shan, Bingyi Song, Limei Wen, Li-Ming Yang y Eric Ganz. "Elucidation of Structures, Electronic Properties, and Chemical Bonding of Monophosphorus-Substituted Boron Clusters in Neutral, Negative, and Positively Charged PBn/PBn–/PBn+ (n = 4–8)". Condensed Matter 7, n.º 4 (12 de noviembre de 2022): 66. http://dx.doi.org/10.3390/condmat7040066.
Texto completoKavitha, Subramaniam, Palanisamy Deepa, Mylsamy Karthika y Ramasamy Kanakaraju. "Topological analysis of metal–ligand and hydrogen bonds in transition metal hybrid structures – A computational study". Polyhedron 115 (septiembre de 2016): 193–203. http://dx.doi.org/10.1016/j.poly.2016.05.010.
Texto completoPrudente, Frederico V. y Jorge M. C. Marques. "Thermodynamic Signatures of Structural Transitions and Dissociation of Charged Colloidal Clusters: A Parallel Tempering Monte Carlo Study". Molecules 27, n.º 8 (16 de abril de 2022): 2581. http://dx.doi.org/10.3390/molecules27082581.
Texto completoHan, Ju-Guang y Frank Hagelberg. "Recent Progress in the Computational Study of Silicon and Germanium Clusters with Transition Metal Impurities". Journal of Computational and Theoretical Nanoscience 6, n.º 2 (1 de febrero de 2009): 257–69. http://dx.doi.org/10.1166/jctn.2009.1035.
Texto completoSzaro, Nicholas y Andreas Heyden. "A DFT+U Study of the Electrochemical Oxidation of H2 and CO on SrLaFeO4-Δ". ECS Meeting Abstracts MA2022-01, n.º 46 (7 de julio de 2022): 1970. http://dx.doi.org/10.1149/ma2022-01461970mtgabs.
Texto completoBÖYÜKATA, MUSTAFA. "MOLECULAR DYNAMICS STUDY OF Tin, Vn AND Crn CLUSTERS". Journal of Theoretical and Computational Chemistry 06, n.º 01 (marzo de 2007): 81–97. http://dx.doi.org/10.1142/s0219633607002873.
Texto completoNguyen Minh, Thao y Thanh Bui Tho. "Study the structure, stability and CO2 adsorption of the ScVB5 cluster". Vietnam Journal of Catalysis and Adsorption 11, n.º 1 (20 de agosto de 2021): 48–58. http://dx.doi.org/10.51316/jca.2022.008.
Texto completoTsona, Narcisse T., Henning Henschel, Nicolai Bork, Ville Loukonen y Hanna Vehkamäki. "Structures, Hydration, and Electrical Mobilities of Bisulfate Ion–Sulfuric Acid–Ammonia/Dimethylamine Clusters: A Computational Study". Journal of Physical Chemistry A 119, n.º 37 (septiembre de 2015): 9670–79. http://dx.doi.org/10.1021/acs.jpca.5b03030.
Texto completoDai, Ying, Bai Biao Huang, Run Long y Lin Yu. "Theoretical Study of Differences between Surface and Bulk Electronic States in Cu Clusters". Solid State Phenomena 121-123 (marzo de 2007): 1189–92. http://dx.doi.org/10.4028/www.scientific.net/ssp.121-123.1189.
Texto completoJIA, JIN-FENG, X. LIU, S. C. LI, J. Z. WANG, J. L. LI, H. LIU, M. H. PAN et al. "ARTIFICIAL METAL NANOCLUSTER CRYSTALS". Modern Physics Letters B 16, n.º 23n24 (20 de octubre de 2002): 889–94. http://dx.doi.org/10.1142/s0217984902004408.
Texto completoNguyen, Huu Tho, Ngo Tuan Cuong, Ngo Thi Lan, Nguyen Thanh Tung, Minh Tho Nguyen y Nguyen Minh Tam. "First-row transition metal doped germanium clusters Ge16M: some remarkable superhalogens". RSC Advances 12, n.º 21 (2022): 13487–99. http://dx.doi.org/10.1039/d1ra08527a.
Texto completoOkumoto, Satoshi y Shinichi Yamabe. "Water-trimer clusters as nucleophilic reagents in hydrolyses of substrates for metal–alkoxides – a computational study". Journal of Non-Crystalline Solids 291, n.º 3 (octubre de 2001): 167–75. http://dx.doi.org/10.1016/s0022-3093(01)00808-0.
Texto completoZabardasti, Abedien, Nahid Zare, Masoumeh Arabpour, Ali Kakanejadifard y Mohammad Solimannejad. "Theoretical Study of Mixed Hydrogen and Dihydrogen Bond Interactions in Clusters". Journal of Chemistry 2013 (2013): 1–7. http://dx.doi.org/10.1155/2013/194836.
Texto completo