Artículos de revistas sobre el tema "Minimum Energy Pathway"
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Philippe, T. y D. Blavette. "Minimum free-energy pathway of nucleation". Journal of Chemical Physics 135, n.º 13 (7 de octubre de 2011): 134508. http://dx.doi.org/10.1063/1.3644935.
Texto completoShim, JaeHwan, Juyong Lee y Jaejun Yu. "Efficient discovery of multiple minimum action pathways using Gaussian process". Journal of Physics Communications 7, n.º 2 (1 de febrero de 2023): 025004. http://dx.doi.org/10.1088/2399-6528/acba83.
Texto completoChen, D., W. Hu, F. Gao, H. Deng y L. Sun. "Tungsten cluster migration on nanoparticles: minimum energy pathway and migration mechanism". European Physical Journal B 80, n.º 1 (marzo de 2011): 31–40. http://dx.doi.org/10.1140/epjb/e2011-10629-9.
Texto completoBorodin, Dmitriy, Igor Rahinov, Pranav R. Shirhatti, Meng Huang, Alexander Kandratsenka, Daniel J. Auerbach, Tianli Zhong et al. "Following the microscopic pathway to adsorption through chemisorption and physisorption wells". Science 369, n.º 6510 (17 de septiembre de 2020): 1461–65. http://dx.doi.org/10.1126/science.abc9581.
Texto completoTakizawa, Hiroki, Junichi Iwakiri, Goro Terai y Kiyoshi Asai. "Finding the direct optimal RNA barrier energy and improving pathways with an arbitrary energy model". Bioinformatics 36, Supplement_1 (1 de julio de 2020): i227—i235. http://dx.doi.org/10.1093/bioinformatics/btaa469.
Texto completoLee, Brian Hyun-jong y Gaurav Arya. "Assembly mechanism of surface-functionalized nanocubes". Nanoscale 14, n.º 10 (2022): 3917–28. http://dx.doi.org/10.1039/d1nr07995f.
Texto completoSchmelzer, Jürn W. P. y Alexander S. Abyzov. "Comment on “Minimum free-energy pathway of nucleation” [J. Chem. Phys. 135, 134508 (2011)]". Journal of Chemical Physics 136, n.º 10 (14 de marzo de 2012): 107101. http://dx.doi.org/10.1063/1.3692688.
Texto completoHong, Young J. y Dean J. Tantillo. "The Variediene-Forming Carbocation Cyclization/Rearrangement Cascade". Australian Journal of Chemistry 70, n.º 4 (2017): 362. http://dx.doi.org/10.1071/ch16504.
Texto completoMonferrer, Ezequiel, Isaac Vieco-Martí, Amparo López-Carrasco, Fernando Fariñas, Sergio Abanades, Luis de la Cruz-Merino, Rosa Noguera y Tomás Álvaro Naranjo. "Metabolic Classification and Intervention Opportunities for Tumor Energy Dysfunction". Metabolites 11, n.º 5 (23 de abril de 2021): 264. http://dx.doi.org/10.3390/metabo11050264.
Texto completoSingh, Baltej, Mayanak Kumar Gupta, Ranjan Mittal, Mohamed Zbiri, Stephane Rols, Sadequa Jahedkhan Patwe, Srungarpu Nagabhusan Achary, Helmut Schober, Avesh Kumar Tyagi y Samrath Lal Chaplot. "Superionic conduction in β-eucryptite: inelastic neutron scattering and computational studies". Physical Chemistry Chemical Physics 19, n.º 23 (2017): 15512–20. http://dx.doi.org/10.1039/c7cp01490b.
Texto completoYanamandra, Kaushik, Rakesh K. Behera, Atef Daoud y Nikhil Gupta. "Migration Barrier Estimation of Carbon in Lead for Lead–Acid Battery Applications: A Density Functional Theory Approach". Solids 3, n.º 2 (22 de marzo de 2022): 177–87. http://dx.doi.org/10.3390/solids3020012.
Texto completoLu, Yanxia, Qing Peng y Chenguang Liu. "Ab Initio Investigation of Helium Mobility in La2Zr2O7 Pyrochlore". Crystals 11, n.º 6 (10 de junio de 2021): 667. http://dx.doi.org/10.3390/cryst11060667.
Texto completoYamamoto, Norifumi, Nobuaki Koga y Masataka Nagaoka. "Ferryl–Oxo Species Produced from Fenton’s Reagent via a Two-Step Pathway: Minimum Free-Energy Path Analysis". Journal of Physical Chemistry B 116, n.º 48 (27 de noviembre de 2012): 14178–82. http://dx.doi.org/10.1021/jp310008z.
Texto completoZhu, Ting, Ju Li y Sidney Yip. "Nanomechanics of Crack Front Mobility". Journal of Applied Mechanics 72, n.º 6 (5 de octubre de 2005): 932–35. http://dx.doi.org/10.1115/1.2047607.
Texto completoSugimura, Natsuhiko, Yoko Igarashi, Reiko Aoyama y Toshimichi Shibue. "Nudged elastic band method and density functional theory calculation for finding a local minimum energy pathway of p-benzoquinone and phenol fragmentation in mass spectrometry". European Journal of Mass Spectrometry 23, n.º 1 (febrero de 2017): 40–44. http://dx.doi.org/10.1177/1469066716688412.
Texto completoDigiesi, Salvatore, Giovanni Mummolo y Micaela Vitti. "Minimum Emissions Configuration of a Green Energy–Steel System: An Analytical Model". Energies 15, n.º 9 (3 de mayo de 2022): 3324. http://dx.doi.org/10.3390/en15093324.
Texto completoStarling, S., D. Sanders, R. Kemp y N. Haywood. "PATHWAY TO PETROLEUM—EASING SKILL SHORTAGES THROUGH AN INDUSTRY INDUCTION PROGRAM". APPEA Journal 46, n.º 1 (2006): 587. http://dx.doi.org/10.1071/aj05039.
Texto completoZhang, Yanjun y Shengyou Huang. "Exploring the Binding Mechanism and Dynamics of EndoMS/NucS to Mismatched dsDNA". International Journal of Molecular Sciences 20, n.º 20 (17 de octubre de 2019): 5142. http://dx.doi.org/10.3390/ijms20205142.
Texto completoFang, Huang, Michael F. Hagan y W. Benjamin Rogers. "Two-step crystallization and solid–solid transitions in binary colloidal mixtures". Proceedings of the National Academy of Sciences 117, n.º 45 (29 de octubre de 2020): 27927–33. http://dx.doi.org/10.1073/pnas.2008561117.
Texto completoCruzeiro, Leonor. "The VES KM: a pathway for protein folding in vivo". Pure and Applied Chemistry 92, n.º 1 (28 de enero de 2020): 179–91. http://dx.doi.org/10.1515/pac-2019-0301.
Texto completoTodorova, Teodora, Daniel Peitz, Oliver Kröcher, Alexander Wokaun y Bernard Delley. "Guanidinium Formate Decomposition on the (101) TiO2-Anatase Surface: Combined Minimum Energy Reaction Pathway Calculations and Temperature-Programmed Decomposition Experiments". Journal of Physical Chemistry C 115, n.º 4 (diciembre de 2010): 1195–203. http://dx.doi.org/10.1021/jp106523b.
Texto completoZivieri, Roberto y Nicola Pacini. "Entropy Density Acceleration and Minimum Dissipation Principle: Correlation with Heat and Matter Transfer in Glucose Catabolism". Entropy 20, n.º 12 (5 de diciembre de 2018): 929. http://dx.doi.org/10.3390/e20120929.
Texto completoNavarro-Retamal, Carlos, Stephan Schott-Verdugo, Holger Gohlke y Ingo Dreyer. "Computational Analyses of the AtTPC1 (Arabidopsis Two-Pore Channel 1) Permeation Pathway". International Journal of Molecular Sciences 22, n.º 19 (26 de septiembre de 2021): 10345. http://dx.doi.org/10.3390/ijms221910345.
Texto completoKim, Young-Kyu, Bum-Goo Cho, Soon-Yeol Park y Taeyoung Won. "Ab-Initio Study of Neutral Indium Diffusion in Uniaxially- and Biaxially-Strained Silicon". Journal of Nanoscience and Nanotechnology 8, n.º 9 (1 de septiembre de 2008): 4565–68. http://dx.doi.org/10.1166/jnn.2008.ic41.
Texto completoChen, Li An, Xing Feng Zhu y Ling Fu Chen. "First principles investigation of the diffusion of interstitial Cu, Ag and Au in ZnTe". International Journal of Modern Physics B 29, n.º 19 (21 de julio de 2015): 1550130. http://dx.doi.org/10.1142/s0217979215501301.
Texto completoQiao, Qing-An, Yueqing Jin, Zhengting Cai, Rongjun Qu, Chuanlu Yang y Meishan Wang. "Molecule dynamics and combined QM/MM study on one-carbon unit transfer reaction catalyzed by GAR transformylase". Open Chemistry 3, n.º 4 (1 de diciembre de 2005): 674–82. http://dx.doi.org/10.2478/bf02475196.
Texto completoSarewicz, Marcin, Łukasz Bujnowicz, Satarupa Bhaduri, Sandeep K. Singh, William A. Cramer y Artur Osyczka. "Metastable radical state, nonreactive with oxygen, is inherent to catalysis by respiratory and photosynthetic cytochromes bc1/b6f". Proceedings of the National Academy of Sciences 114, n.º 6 (23 de enero de 2017): 1323–28. http://dx.doi.org/10.1073/pnas.1618840114.
Texto completoSun, Qiao, Sufan Wang, Hong Zhang, Zhen Li, Christoph Pifisterer, Stefan Fischer, Shinko Nanbu y Sean C. Smith. "Structural and Relaxation Effects in Proton Wire Energetics: Model Studies of the Green Fluorescent Protein Photocycle". Australian Journal of Chemistry 63, n.º 3 (2010): 363. http://dx.doi.org/10.1071/ch09509.
Texto completoGourlaouen, Christophe, Carine Clavaguéra, Aude Marjolin, Jean-Philip Piquemal y Jean-Pierre Dognon. "Understanding the structure and electronic properties of Th4+-water complexes". Canadian Journal of Chemistry 91, n.º 9 (septiembre de 2013): 821–31. http://dx.doi.org/10.1139/cjc-2012-0546.
Texto completoSchafer, Nicholas P., Ha H. Truong, Daniel E. Otzen, Kresten Lindorff-Larsen y Peter G. Wolynes. "Topological constraints and modular structure in the folding and functional motions of GlpG, an intramembrane protease". Proceedings of the National Academy of Sciences 113, n.º 8 (8 de febrero de 2016): 2098–103. http://dx.doi.org/10.1073/pnas.1524027113.
Texto completoChan, Bun y Leo Radom. "Modelling the Effect of Conformation on Hydrogen-Atom Abstraction from Peptides". Australian Journal of Chemistry 71, n.º 4 (2018): 257. http://dx.doi.org/10.1071/ch17621.
Texto completoJadhaw, Arjun y Vikrant Sharma. "AN IMPLEMENTATION OF EFFICIENT PATH SELECTION METHOD FOR SUCCESSFUL DATA TRANSMISSION IN MOBILE AD HOC NETWORKS". BSSS journal of computer 12, n.º 1 (30 de junio de 2021): 36–48. http://dx.doi.org/10.51767/jc1205.
Texto completoWang, Lin, Chiam Yu Ng, Satyakam Dash y Costas D. Maranas. "Exploring the combinatorial space of complete pathways to chemicals". Biochemical Society Transactions 46, n.º 3 (6 de abril de 2018): 513–22. http://dx.doi.org/10.1042/bst20170272.
Texto completoZhang, Qiyan, Yawei Li, Haiyan Zhu y Bingbing Suo. "High-Performance of Electrocatalytic CO2 Reduction on Defective Graphene-Supported Cu4S2 Cluster". Catalysts 12, n.º 5 (19 de abril de 2022): 454. http://dx.doi.org/10.3390/catal12050454.
Texto completoYamamoto, Norifumi, Genichi Sampei y Gota Kawai. "Free-Energy Profile Analysis of the Catalytic Reaction of Glycinamide Ribonucleotide Synthetase". Life 12, n.º 2 (14 de febrero de 2022): 281. http://dx.doi.org/10.3390/life12020281.
Texto completoFujimoto, Kazushi, Motohiro Fukai, Ryo Urano, Wataru Shinoda, Tetsuya Ishikawa, Katsumi Omagari, Yasuhito Tanaka, Atsushi Nakagawa y Susumu Okazaki. "Free energy profile of permeation of Entecavir through Hepatitis B virus capsid studied by molecular dynamics calculation". Pure and Applied Chemistry 92, n.º 10 (25 de octubre de 2020): 1585–94. http://dx.doi.org/10.1515/pac-2020-0109.
Texto completoZhu, Ting, Ju Li y Sidney Yip. "Atomistic characterization of three-dimensional lattice trapping barriers to brittle fracture". Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 462, n.º 2070 (21 de febrero de 2006): 1741–61. http://dx.doi.org/10.1098/rspa.2005.1567.
Texto completoMorsy, Omar, Farzad Hourfar, Qinqin Zhu, Ali Almansoori y Ali Elkamel. "A Superstructure Mixed-Integer Nonlinear Programming Optimization for the Optimal Processing Pathway Selection of Sludge-to-Energy Technologies". Sustainability 15, n.º 5 (22 de febrero de 2023): 4023. http://dx.doi.org/10.3390/su15054023.
Texto completoKhrenova, Maria G., Egor S. Bulavko, Fedor D. Mulashkin y Alexander V. Nemukhin. "Mechanism of Guanosine Triphosphate Hydrolysis by the Visual Proteins Arl3-RP2: Free Energy Reaction Profiles Computed with Ab Initio Type QM/MM Potentials". Molecules 26, n.º 13 (30 de junio de 2021): 3998. http://dx.doi.org/10.3390/molecules26133998.
Texto completoUgarte, Ricardo, Guillermo Salgado y Luis Basáez. "A theoretical study of the nitration of eugenol with the nitronium ion". Collection of Czechoslovak Chemical Communications 76, n.º 12 (2011): 1529–48. http://dx.doi.org/10.1135/cccc2011156.
Texto completoKathan, Michael, Stefano Crespi, Niklas O. Thiel, Daniel L. Stares, Denis Morsa, John de Boer, Gianni Pacella et al. "A light-fuelled nanoratchet shifts a coupled chemical equilibrium". Nature Nanotechnology 17, n.º 2 (16 de diciembre de 2021): 159–65. http://dx.doi.org/10.1038/s41565-021-01021-z.
Texto completoBageshwar, Umesh K. y Siegfried M. Musser. "Two electrical potential–dependent steps are required for transport by the Escherichia coli Tat machinery". Journal of Cell Biology 179, n.º 1 (1 de octubre de 2007): 87–99. http://dx.doi.org/10.1083/jcb.200702082.
Texto completoKhanal, Pukar, B. M. Patil, Jagdish Chand y Yasmin Naaz. "Anthraquinone Derivatives as an Immune Booster and their Therapeutic Option Against COVID-19". Natural Products and Bioprospecting 10, n.º 5 (8 de agosto de 2020): 325–35. http://dx.doi.org/10.1007/s13659-020-00260-2.
Texto completoHussain, Zakir, Deepa Meghavathu y Rakesh Kumar. "Glimpses Of Dynamic Biodiesel Product Pricing Model". International Journal of Engineering & Technology 7, n.º 4.5 (22 de septiembre de 2018): 224. http://dx.doi.org/10.14419/ijet.v7i4.5.20051.
Texto completoKumari, Sweta, Sri Sadgun Reddy Pulagam y Amlan Dutta. "Nucleation of Twinning Dislocation Loop in Pt: A Computational Approach". International Journal of Innovative Research in Physics 3, n.º 1 (4 de octubre de 2021): 11–18. http://dx.doi.org/10.15864/ijiip.3102.
Texto completoChoi, Yong Hyun y Joonsik Hwang. "Review on Plasma-Assisted Ignition Systems for Internal Combustion Engine Application". Energies 16, n.º 4 (6 de febrero de 2023): 1604. http://dx.doi.org/10.3390/en16041604.
Texto completoYoshida, Norio. "A new method for finding the minimum free energy pathway of ions and small molecule transportation through protein based on 3D-RISM theory and the string method". Chemical Physics Letters 699 (mayo de 2018): 22–27. http://dx.doi.org/10.1016/j.cplett.2018.03.034.
Texto completoLemuth, K., T. Hardiman, S. Winter, D. Pfeiffer, M. A. Keller, S. Lange, M. Reuss, R. D. Schmid y M. Siemann-Herzberg. "Global Transcription and Metabolic Flux Analysis of Escherichia coli in Glucose-Limited Fed-Batch Cultivations". Applied and Environmental Microbiology 74, n.º 22 (19 de septiembre de 2008): 7002–15. http://dx.doi.org/10.1128/aem.01327-08.
Texto completoBerry, C. A. "Characteristics of water diffusion in the rabbit proximal convoluted tubule". American Journal of Physiology-Renal Physiology 249, n.º 5 (1 de noviembre de 1985): F729—F738. http://dx.doi.org/10.1152/ajprenal.1985.249.5.f729.
Texto completoBoyer, David R., Binsen Li, Chuanqi Sun, Weijia Fan, Kang Zhou, Michael P. Hughes, Michael R. Sawaya, Lin Jiang y David S. Eisenberg. "The α-synuclein hereditary mutation E46K unlocks a more stable, pathogenic fibril structure". Proceedings of the National Academy of Sciences 117, n.º 7 (3 de febrero de 2020): 3592–602. http://dx.doi.org/10.1073/pnas.1917914117.
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