Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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Advances in Quantum Mechanochemistry: Electronic Structure Methods and Force AnalysisStauch, Tim ; Dreuw, AndreasChemical reviews, 2016-11, Vol.116 (22), p.14137-14180 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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2 |
Material Type: Artigo
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Light-Driven Expansion of Spiropyran HydrogelsLi, Chuang ; Iscen, Aysenur ; Palmer, Liam C ; Schatz, George C ; Stupp, Samuel IJournal of the American Chemical Society, 2020-05, Vol.142 (18), p.8447-8453 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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3 |
Material Type: Artigo
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Systematic Merging of Nonfullerene Acceptor π‑Extension and Tetrafluorination Strategies Affords Polymer Solar Cells with >16% EfficiencyLi, Guoping ; Zhang, Xiaohua ; Jones, Leighton O ; Alzola, Joaquin M ; Mukherjee, Subhrangsu ; Feng, Liang-wen ; Zhu, Weigang ; Stern, Charlotte L ; Huang, Wei ; Yu, Junsheng ; Sangwan, Vinod K ; DeLongchamp, Dean M ; Kohlstedt, Kevin L ; Wasielewski, Michael R ; Hersam, Mark C ; Schatz, George C ; Facchetti, Antonio ; Marks, Tobin JJournal of the American Chemical Society, 2021-04, Vol.143 (16), p.6123-6139 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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4 |
Material Type: Artigo
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Ab Initio Nonadiabatic Quantum Molecular DynamicsCurchod, Basile F. E ; Martínez, Todd JChemical reviews, 2018-04, Vol.118 (7), p.3305-3336 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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5 |
Material Type: Artigo
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QSARINS: A new software for the development, analysis, and validation of QSAR MLR modelsGramatica, Paola ; Chirico, Nicola ; Papa, Ester ; Cassani, Stefano ; Kovarich, SimonaJournal of computational chemistry, 2013-09, Vol.34 (24), p.2121-2132 [Periódico revisado por pares]New York: Blackwell Publishing LtdTexto completo disponível |
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6 |
Material Type: Artigo
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Reactivity of Metal ClustersLuo, Zhixun ; Castleman, A. W ; Khanna, Shiv NChemical reviews, 2016-12, Vol.116 (23), p.14456-14492 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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7 |
Material Type: Artigo
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Search for Catalysts by Inverse Design: Artificial Intelligence, Mountain Climbers, and AlchemistsFreeze, Jessica G ; Kelly, H. Ray ; Batista, Victor SChemical reviews, 2019-06, Vol.119 (11), p.6595-6612 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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8 |
Material Type: Artigo
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CHARMM: The biomolecular simulation programBrooks, B.R ; Brooks, C.L. III ; Mackerell, A.D. Jr ; Nilsson, L ; Petrella, R.J ; Roux, B ; Won, Y ; Archontis, G ; Bartels, C ; Boresch, S ; Caflisch, A ; Caves, L ; Cui, Q ; Dinner, A.R ; Feig, M ; Fischer, S ; Gao, J ; Hodoscek, M ; Im, W ; Kuczera, K ; Lazaridis, T ; Ma, J ; Ovchinnikov, V ; Paci, E ; Pastor, R.W ; Post, C.B ; Pu, J.Z ; Schaefer, M ; Tidor, B ; Venable, R.M ; Woodcock, H.L ; Wu, X ; Yang, W ; York, D.M ; Karplus, MJournal of computational chemistry, 2009-07, Vol.30 (10), p.1545-1614 [Periódico revisado por pares]Hoboken: Wiley Subscription Services, Inc., A Wiley CompanyTexto completo disponível |
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9 |
Material Type: Artigo
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Enumeration of Virtual Libraries of Combinatorial Modular Macrocyclic (Bracelet, Necklace) Architectures and Their Linear CounterpartsTaniguchi, Masahiko ; Du, Hai ; Lindsey, Jonathan SJournal of chemical information and modeling, 2013-09, Vol.53 (9), p.2203-2216 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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10 |
Material Type: Artigo
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High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host–Guest BindingHan, Xue ; Lu, Wanpeng ; Chen, Yinlin ; da Silva, Ivan ; Li, Jiangnan ; Lin, Longfei ; Li, Weiyao ; Sheveleva, Alena M ; Godfrey, Harry G. W ; Lu, Zhenzhong ; Tuna, Floriana ; McInnes, Eric J. L ; Cheng, Yongqiang ; Daemen, Luke L ; M, Laura J. M ; Teat, Simon J ; Frogley, Mark D ; Rudić, Svemir ; Manuel, Pascal ; Ramirez-Cuesta, Anibal J ; Yang, Sihai ; Schröder, MartinJournal of the American Chemical Society, 2021-03, Vol.143 (8), p.3153-3161 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |