Literatura académica sobre el tema "Thermochemistry of Molecules and Processes - Computational Study"
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Artículos de revistas sobre el tema "Thermochemistry of Molecules and Processes - Computational Study"
Holmes, John L., Karl J. Jobst y Johan K. Terlouw. "Small (Poly)Unsaturated Oxygen Containing Ions and Molecules: A Brief Assessment of Their Thermochemistry Based on Computational Chemistry". European Journal of Mass Spectrometry 15, n.º 2 (abril de 2009): 261–73. http://dx.doi.org/10.1255/ejms.959.
Texto completoChesnut, D. B. "Localization function study of excitation processes in a set of small isoelectronic molecules". Journal of Computational Chemistry 22, n.º 14 (2001): 1702–11. http://dx.doi.org/10.1002/jcc.1125.
Texto completoNAKANO, MASAYOSHI, RYOHEI KISHI, HITOSHI FUKUI, TAKUYA MINAMI, HIROSHI NAGAI, KYOHEI YONEDA, SEAN BONNESS y HIDEAKI TAKAHASHI. "THEORETICAL STUDY ON OPEN-SHELL NONLINEAR OPTICAL MOLECULAR SYSTEMS AND A DEVELOPMENT OF A NOVEL COMPUTATIONAL SCHEME OF EXCITON DYNAMICS". International Journal of Nanoscience 08, n.º 01n02 (febrero de 2009): 123–29. http://dx.doi.org/10.1142/s0219581x09005803.
Texto completoAbe, Shigeaki, Yoshinori Nagoya, Fumio Watari y Hiroto Tachikawa. "Evaporation processes of water molecules from graphene edge: DFT and MD study". Computational Materials Science 50, n.º 9 (julio de 2011): 2640–43. http://dx.doi.org/10.1016/j.commatsci.2011.04.009.
Texto completoPilling, S., G. A. Carvalho, H. A. de Abreu, B. R. L. Galvão, C. H. da Silveira y M. S. Mateus. "Understanding the Molecular Kinetics and Chemical Equilibrium Phase of Frozen CO during Bombardment by Cosmic Rays by Employing the PROCODA Code". Astrophysical Journal 952, n.º 1 (1 de julio de 2023): 17. http://dx.doi.org/10.3847/1538-4357/acdb4a.
Texto completoWohlwend, Jennifer L., Cosima N. Boswell, Simon R. Phillpot y Susan B. Sinnott. "A computational study of SrTiO3 thin film deposition: Morphology and growth modes". Journal of Materials Research 24, n.º 6 (junio de 2009): 1994–2000. http://dx.doi.org/10.1557/jmr.2009.0229.
Texto completoAbplanalp, Matthew J., Samer Gozem, Anna I. Krylov, Christopher N. Shingledecker, Eric Herbst y Ralf I. Kaiser. "A study of interstellar aldehydes and enols as tracers of a cosmic ray-driven nonequilibrium synthesis of complex organic molecules". Proceedings of the National Academy of Sciences 113, n.º 28 (5 de julio de 2016): 7727–32. http://dx.doi.org/10.1073/pnas.1604426113.
Texto completoOrmachea, Carla M., María Nélida Kneeteman y Pedro M. E. Mancini. "Diels–Alder Polar Reactions of Azaheterocycles: A Theoretical and Experimental Study". Organics 3, n.º 2 (22 de mayo de 2022): 102–10. http://dx.doi.org/10.3390/org3020008.
Texto completoFilion, Renee J. y Aleksander S. Popel. "Intracoronary administration of FGF-2: a computational model of myocardial deposition and retention". American Journal of Physiology-Heart and Circulatory Physiology 288, n.º 1 (enero de 2005): H263—H279. http://dx.doi.org/10.1152/ajpheart.00205.2004.
Texto completoShafranyosh, M. y D. Kish. "Processes of formation of positive ions at the electron - thymine molecule interactions". Bulletin of Taras Shevchenko National University of Kyiv. Series: Physics and Mathematics, n.º 2 (2019): 104–7. http://dx.doi.org/10.17721/1812-5409.2019/2.14.
Texto completoLibros sobre el tema "Thermochemistry of Molecules and Processes - Computational Study"
Appasani, Krishnarao y Raghu Kiran Appasani, eds. Single-Molecule Science. Cambridge University Press, 2022. http://dx.doi.org/10.1017/9781108525909.
Texto completoCapítulos de libros sobre el tema "Thermochemistry of Molecules and Processes - Computational Study"
Germain, Aurèle, Marta Corno y Piero Ugliengo. "Computing Binding Energies of Interstellar Molecules by Semiempirical Quantum Methods: Comparison Between DFT and GFN2 on Crystalline Ice". En Computational Science and Its Applications – ICCSA 2021, 632–45. Cham: Springer International Publishing, 2021. http://dx.doi.org/10.1007/978-3-030-86976-2_43.
Texto completoBasharat, Zarrin, Monazza Bibi y Azra Yasmin. "Implications of Molecular Docking Assay for Bioremediation". En Handbook of Research on Inventive Bioremediation Techniques, 24–45. IGI Global, 2017. http://dx.doi.org/10.4018/978-1-5225-2325-3.ch002.
Texto completoBasharat, Zarrin, Monazza Bibi y Azra Yasmin. "Implications of Molecular Docking Assay for Bioremediation". En Data Analytics in Medicine, 1556–77. IGI Global, 2020. http://dx.doi.org/10.4018/978-1-7998-1204-3.ch078.
Texto completoActas de conferencias sobre el tema "Thermochemistry of Molecules and Processes - Computational Study"
Moiseeva, Elena F., Victor L. Malyshev, Dmitriy F. Marin, Nail A. Gumerov y Iskander Sh Akhatov. "Molecular Dynamics Simulations of Nanobubbles Formation Near the Substrate in a Liquid With Dissolved Gas". En ASME 2014 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2014. http://dx.doi.org/10.1115/imece2014-37050.
Texto completoBagheri, AmirHossein, Pavlina J. I. Williams, Phillip R. Foster y Huseyin Bostanci. "Effect of Using Different Equations of State in the Analysis of Rotary Displacer Stirling Engine". En ASME 2018 Power Conference collocated with the ASME 2018 12th International Conference on Energy Sustainability and the ASME 2018 Nuclear Forum. American Society of Mechanical Engineers, 2018. http://dx.doi.org/10.1115/power2018-7221.
Texto completoKoo, Heeseok, Malik Hassanaly, Venkat Raman, Michael E. Mueller y Klaus Peter Geigle. "Large Eddy Simulation of Soot Formation in a Model Gas Turbine Combustor". En ASME Turbo Expo 2016: Turbomachinery Technical Conference and Exposition. American Society of Mechanical Engineers, 2016. http://dx.doi.org/10.1115/gt2016-57952.
Texto completoGupta, Vijay K. y Charles D. Eggleton. "A 3-D Computational Model of L-Selectin-PSGL-1 Dependent Homotypic Leukocyte Binding and Rupture in Shear Flow". En ASME 2012 Summer Bioengineering Conference. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/sbc2012-80862.
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