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Material Type: Artigo
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Benchmark ab initio proton affinity and gas‐phase basicity of α‐alanine based on coupled‐cluster theory and statistical mechanicsDékány, Attila Á. ; Czakó, GáborJournal of computational chemistry, 2022-01, Vol.43 (1), p.19-28 [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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2 |
Material Type: Artigo
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Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation softwareDana, Alon Grinberg ; Johnson, Matthew S. ; Allen, Joshua W. ; Sharma, Sandeep ; Raman, Sumathy ; Liu, Mengjie ; Gao, Connie W. ; Grambow, Colin A. ; Goldman, Mark J. ; Ranasinghe, Duminda S. ; Gillis, Ryan J. ; Payne, A. Mark ; Li, Yi‐Pei ; Dong, Xiaorui ; Spiekermann, Kevin A. ; Wu, Haoyang ; Dames, Enoch E. ; Buras, Zachary J. ; Vandewiele, Nick M. ; Yee, Nathan W. ; Merchant, Shamel S. ; Buesser, Beat ; Class, Caleb A. ; Goldsmith, Franklin ; West, Richard H. ; Green, William H.International journal of chemical kinetics, 2023-06, Vol.55 (6), p.300-323 [Periódico revisado por pares]Hoboken: Wiley Subscription Services, IncTexto completo disponível |
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3 |
Material Type: Artigo
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A Bionic‐Homodimerization Strategy for Optimizing Modulators of Protein–Protein Interactions: From Statistical Mechanics Theory to Potential Clinical TranslationYan, Jin ; Zheng, Xiaoqiang ; You, Weiming ; He, Wangxiao ; Xu, Guang‐KuiAdvanced science, 2022-04, Vol.9 (11), p.e2105179-n/a [Periódico revisado por pares]Germany: John Wiley & Sons, IncTexto completo disponível |
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4 |
Material Type: Artigo
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Statistical mechanics-based method to extract atomic distance-dependent potentials from protein structuresHuang, Sheng-You ; Zou, XiaoqinProteins, structure, function, and bioinformatics, 2011-09, Vol.79 (9), p.2648-2661 [Periódico revisado por pares]Hoboken: Wiley Subscription Services, Inc., A Wiley CompanyTexto completo disponível |
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5 |
Material Type: Artigo
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Statistical mechanics of 1D self-gravitating systems: the core-halo distributionTeles, T. N. ; Levin, Y. ; Pakter, R.Monthly notices of the Royal Astronomical Society. Letters, 2011-10, Vol.417 (1), p.L21-L25 [Periódico revisado por pares]Oxford, UK: Blackwell Publishing LtdTexto completo disponível |
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6 |
Material Type: Artigo
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Statistical mechanics of wind wave-induced erosion in shallow tidal basins: Inferences from the Venice LagoonD'Alpaos, Andrea ; Carniello, Luca ; Rinaldo, AndreaGeophysical research letters, 2013-07, Vol.40 (13), p.3402-3407 [Periódico revisado por pares]Washington, DC: Blackwell Publishing LtdTexto completo disponível |
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7 |
Material Type: Artigo
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Phase transition in quantum tunneling and exact statistical mechanics for a model of parameterized double‐well potentialNaha Nzoupe, Fernand ; Dikandé, Alain Moíse ; Tchawoua, ClementMathematical methods in the applied sciences, 2021-11, Vol.44 (16), p.12221-12235 [Periódico revisado por pares]Freiburg: Wiley Subscription Services, IncTexto completo disponível |
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8 |
Material Type: Artigo
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A Hybrid statistical mechanics-quantum chemical model for proton transfer in 5-azauracil and 6-azauracil in water solutionMarkova, Nadezhda ; Pejov, Ljupco ; Enchev, VenelinInternational journal of quantum chemistry, 2015-04, Vol.115 (8), p.477-485 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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9 |
Material Type: Artigo
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Tunable elasticity and thermodynamic parameters of hydroxypropyl methacrylate‐based gels with varying extents of monomer concentration: Statistical mechanics treatments of physical observationsOrakdogen, Nermin ; Sanay, BerranJournal of applied polymer science, 2018-02, Vol.135 (8), p.n/a [Periódico revisado por pares]Hoboken: Wiley Subscription Services, IncTexto completo disponível |
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10 |
Material Type: Artigo
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Fluid-like entropy and equilibrium statistical mechanics of self-gravitating systemsKang, Dong-Biao ; He, PingMonthly notices of the Royal Astronomical Society, 2011-09, Vol.416 (1), p.32-37 [Periódico revisado por pares]Oxford, UK: Blackwell Publishing LtdTexto completo disponível |