Добірка наукової літератури з теми "Thermochemistry of Molecules and Processes - Computational Study"
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Статті в журналах з теми "Thermochemistry of Molecules and Processes - Computational Study"
Holmes, John L., Karl J. Jobst, and 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, no. 2 (April 2009): 261–73. http://dx.doi.org/10.1255/ejms.959.
Повний текст джерелаChesnut, D. B. "Localization function study of excitation processes in a set of small isoelectronic molecules." Journal of Computational Chemistry 22, no. 14 (2001): 1702–11. http://dx.doi.org/10.1002/jcc.1125.
Повний текст джерелаNAKANO, MASAYOSHI, RYOHEI KISHI, HITOSHI FUKUI, TAKUYA MINAMI, HIROSHI NAGAI, KYOHEI YONEDA, SEAN BONNESS, and 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, no. 01n02 (February 2009): 123–29. http://dx.doi.org/10.1142/s0219581x09005803.
Повний текст джерелаAbe, Shigeaki, Yoshinori Nagoya, Fumio Watari, and Hiroto Tachikawa. "Evaporation processes of water molecules from graphene edge: DFT and MD study." Computational Materials Science 50, no. 9 (July 2011): 2640–43. http://dx.doi.org/10.1016/j.commatsci.2011.04.009.
Повний текст джерелаPilling, S., G. A. Carvalho, H. A. de Abreu, B. R. L. Galvão, C. H. da Silveira, and 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, no. 1 (July 1, 2023): 17. http://dx.doi.org/10.3847/1538-4357/acdb4a.
Повний текст джерелаWohlwend, Jennifer L., Cosima N. Boswell, Simon R. Phillpot, and Susan B. Sinnott. "A computational study of SrTiO3 thin film deposition: Morphology and growth modes." Journal of Materials Research 24, no. 6 (June 2009): 1994–2000. http://dx.doi.org/10.1557/jmr.2009.0229.
Повний текст джерелаAbplanalp, Matthew J., Samer Gozem, Anna I. Krylov, Christopher N. Shingledecker, Eric Herbst, and 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, no. 28 (July 5, 2016): 7727–32. http://dx.doi.org/10.1073/pnas.1604426113.
Повний текст джерелаOrmachea, Carla M., María Nélida Kneeteman, and Pedro M. E. Mancini. "Diels–Alder Polar Reactions of Azaheterocycles: A Theoretical and Experimental Study." Organics 3, no. 2 (May 22, 2022): 102–10. http://dx.doi.org/10.3390/org3020008.
Повний текст джерелаFilion, Renee J., and 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, no. 1 (January 2005): H263—H279. http://dx.doi.org/10.1152/ajpheart.00205.2004.
Повний текст джерелаShafranyosh, M., and 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, no. 2 (2019): 104–7. http://dx.doi.org/10.17721/1812-5409.2019/2.14.
Повний текст джерелаКниги з теми "Thermochemistry of Molecules and Processes - Computational Study"
Appasani, Krishnarao, and Raghu Kiran Appasani, eds. Single-Molecule Science. Cambridge University Press, 2022. http://dx.doi.org/10.1017/9781108525909.
Повний текст джерелаЧастини книг з теми "Thermochemistry of Molecules and Processes - Computational Study"
Germain, Aurèle, Marta Corno, and Piero Ugliengo. "Computing Binding Energies of Interstellar Molecules by Semiempirical Quantum Methods: Comparison Between DFT and GFN2 on Crystalline Ice." In 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.
Повний текст джерелаBasharat, Zarrin, Monazza Bibi, and Azra Yasmin. "Implications of Molecular Docking Assay for Bioremediation." In Handbook of Research on Inventive Bioremediation Techniques, 24–45. IGI Global, 2017. http://dx.doi.org/10.4018/978-1-5225-2325-3.ch002.
Повний текст джерелаBasharat, Zarrin, Monazza Bibi, and Azra Yasmin. "Implications of Molecular Docking Assay for Bioremediation." In Data Analytics in Medicine, 1556–77. IGI Global, 2020. http://dx.doi.org/10.4018/978-1-7998-1204-3.ch078.
Повний текст джерелаТези доповідей конференцій з теми "Thermochemistry of Molecules and Processes - Computational Study"
Moiseeva, Elena F., Victor L. Malyshev, Dmitriy F. Marin, Nail A. Gumerov, and Iskander Sh Akhatov. "Molecular Dynamics Simulations of Nanobubbles Formation Near the Substrate in a Liquid With Dissolved Gas." In ASME 2014 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2014. http://dx.doi.org/10.1115/imece2014-37050.
Повний текст джерелаBagheri, AmirHossein, Pavlina J. I. Williams, Phillip R. Foster, and Huseyin Bostanci. "Effect of Using Different Equations of State in the Analysis of Rotary Displacer Stirling Engine." In 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.
Повний текст джерелаKoo, Heeseok, Malik Hassanaly, Venkat Raman, Michael E. Mueller, and Klaus Peter Geigle. "Large Eddy Simulation of Soot Formation in a Model Gas Turbine Combustor." In ASME Turbo Expo 2016: Turbomachinery Technical Conference and Exposition. American Society of Mechanical Engineers, 2016. http://dx.doi.org/10.1115/gt2016-57952.
Повний текст джерелаGupta, Vijay K., and Charles D. Eggleton. "A 3-D Computational Model of L-Selectin-PSGL-1 Dependent Homotypic Leukocyte Binding and Rupture in Shear Flow." In ASME 2012 Summer Bioengineering Conference. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/sbc2012-80862.
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