Academic literature on the topic 'Intermolecular model'
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Journal articles on the topic "Intermolecular model"
Walker, M. B. "Model for the anisotropic intermolecular potential forC60." Physical Review B 45, no. 23 (June 15, 1992): 13849–52. http://dx.doi.org/10.1103/physrevb.45.13849.
Full textBorden, Mark Andrew. "Intermolecular Forces Model for Lipid Microbubble Shells." Langmuir 35, no. 31 (December 13, 2018): 10042–51. http://dx.doi.org/10.1021/acs.langmuir.8b03641.
Full textPrice, S. L. "Model anisotropic intermolecular potentials for saturated hydrocarbons." Acta Crystallographica Section B Structural Science 42, no. 4 (August 1, 1986): 388–401. http://dx.doi.org/10.1107/s0108768186098051.
Full textAgterberg, D. F., and M. B. Walker. "Model for the anisotropic intermolecular potential forC70." Physical Review B 48, no. 8 (August 15, 1993): 5630–33. http://dx.doi.org/10.1103/physrevb.48.5630.
Full textROAMBA, Brahima, Jean de Dieu ZABSONRE, and Yacouba ZONGO. "On the Existence of Global Weak Solutions to 1D Pollutant Transport Model." Journal of Mathematics Research 9, no. 4 (July 23, 2017): 124. http://dx.doi.org/10.5539/jmr.v9n4p124.
Full textJohnson, Erin R., and Axel D. Becke. "A post-Hartree–Fock model of intermolecular interactions." Journal of Chemical Physics 123, no. 2 (July 8, 2005): 024101. http://dx.doi.org/10.1063/1.1949201.
Full textGordon, Mark S., Quentin A. Smith, Peng Xu, and Lyudmila V. Slipchenko. "Accurate First Principles Model Potentials for Intermolecular Interactions." Annual Review of Physical Chemistry 64, no. 1 (April 2013): 553–78. http://dx.doi.org/10.1146/annurev-physchem-040412-110031.
Full textStone, Anthony J., Yuthana Tantirungrotechai, and A. David Buckingham. "The dielectric virial coefficient and model intermolecular potentials." Physical Chemistry Chemical Physics 2, no. 4 (2000): 429–34. http://dx.doi.org/10.1039/a905990c.
Full textDemidov, V. N. "Cluster Thermodynamic Model of Intermolecular Interactions in Liquids." Doklady Physical Chemistry 394, no. 1-3 (January 2004): 12–15. http://dx.doi.org/10.1023/b:dopc.0000014758.61409.5a.
Full textJiang, Hao, Othonas A. Moultos, Ioannis G. Economou, and Athanassios Z. Panagiotopoulos. "Hydrogen-Bonding Polarizable Intermolecular Potential Model for Water." Journal of Physical Chemistry B 120, no. 48 (November 22, 2016): 12358–70. http://dx.doi.org/10.1021/acs.jpcb.6b08205.
Full textDissertations / Theses on the topic "Intermolecular model"
Williams, Joanna D. "The prediction of viscosity for mixtures using a Modified Square Well Intermolecular Potential model." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 2000. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape3/PQDD_0018/MQ49692.pdf.
Full textOinuma, Ryoji. "Fundamental study of evaporation model in micron pore." Texas A&M University, 2004. http://hdl.handle.net/1969.1/1239.
Full textOguz, Cihan. "Control-oriented modeling of discrete configuration molecular scale processes applications in polymer synthesis and thin film growth /." Diss., Atlanta, Ga. : Georgia Institute of Technology, 2007. http://hdl.handle.net/1853/19867.
Full textCommittee Chair: Gallivan, Martha A.; Committee Member: Hess, Dennis; Committee Member: Lee, Jay H.; Committee Member: Li, Mo; Committee Member: Ludovice, Pete.
Pathak, Saurabh. "A Dynamic Model of the Magnetic Head Slider with Contact and Off-Track Motion Due to a Thermally Actuated Protrusion or a Moving Bump Involving Intermolecular Forces." University of Akron / OhioLINK, 2016. http://rave.ohiolink.edu/etdc/view?acc_num=akron1468408012.
Full textKrause, Lennard. "Assessment of Single Crystal X-ray Diffraction Data Quality." Doctoral thesis, Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2017. http://hdl.handle.net/11858/00-1735-0000-0023-3DD4-A.
Full textCao, Bei, and 曹蓓. "Development of polarizable water models." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2015. http://hdl.handle.net/10722/211115.
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Chemistry
Doctoral
Doctor of Philosophy
Evans, Diane. "Hierarchical intermolecular interaction models of N-heteroaromatic STM adlayer structures." College Park, Md. : University of Maryland, 2007. http://hdl.handle.net/1903/7761.
Full textThesis research directed by: Dept. of Chemistry and Biochemistry. Title from t.p. of PDF. Includes bibliographical references. Published by UMI Dissertation Services, Ann Arbor, Mich. Also available in paper.
Pezron, Erwoan. "Influence de la complexation d'ions sur les proprietes physico-chimiques de solutions de polymeres." Paris 6, 1988. http://www.theses.fr/1988PA066476.
Full textSkrynnikov, Nikolai R. "Effects of multispin modes in intermolecular NMR relaxation and chemical exchange in liquids." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1997. http://www.collectionscanada.ca/obj/s4/f2/dsk2/tape16/PQDD_0013/NQ30389.pdf.
Full textSkrynnikov, Nikolai R. "Effects of multispin modes in intermolecular NMR relaxation and chemical exchange in liquids." Thesis, McGill University, 1996. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=34458.
Full textBooks on the topic "Intermolecular model"
Intermolecular interactions: Physical picture, computational methods, model potentials. Hoboken, NJ: Wiley, 2006.
Find full textKaplan, I. G. Intermolecular interactions: Physical picture, computational methods and model potentials. Chichester, UK: John Wiley & Sons, 2006.
Find full text1962-, Smit Berend, ed. Understanding molecular simulation: From algorithms to applications. San Diego: Academic Press, 1996.
Find full text1962-, Smit Berend, ed. Understanding molecular simulation: From algorithms to applications. 2nd ed. San Diego: Academic Press, 2002.
Find full textKaplan, Ilya G. Intermolecular Interactions: Physical Picture, Computational Methods and Model Potentials. Wiley & Sons, Incorporated, John, 2007.
Find full textKaplan, Ilya G. Intermolecular Interactions: Physical Picture, Computational Methods and Model Potentials. Wiley & Sons, Incorporated, John, 2006.
Find full textKaplan, Ilya G., and Kaplan Publishing Staff. Intermolecular Interactions: Physical Picture, Computational Methods and Model Potentials. Wiley & Sons, Incorporated, John, 2006.
Find full textAllen, Michael P., and Dominic J. Tildesley. Introduction. Oxford University Press, 2017. http://dx.doi.org/10.1093/oso/9780198803195.003.0001.
Full textBook chapters on the topic "Intermolecular model"
Ehrenfeucht, Andrzej, Tero Harju, Ion Petre, David M. Prescott, and Grzegorz Rozenberg. "Intermolecular Model." In Natural Computing Series, 179–85. Berlin, Heidelberg: Springer Berlin Heidelberg, 2004. http://dx.doi.org/10.1007/978-3-662-06371-2_15.
Full textPrice, Sarah L. "Towards Realistic Model Intermolecular Potentials." In Computer Modelling of Fluids Polymers and Solids, 29–54. Dordrecht: Springer Netherlands, 1990. http://dx.doi.org/10.1007/978-94-009-2484-0_2.
Full textSoncini, A., P. W. Fowler, and L. W. Jenneskens. "Angular momentum and spectral decomposition of ring currents: aromaticity and the annulene model." In Intermolecular Forces and Clusters I, 57–79. Berlin, Heidelberg: Springer Berlin Heidelberg, 2005. http://dx.doi.org/10.1007/b135830.
Full textNielsen, O. Faurskov, A. Mortensen, J. Yarwood, and V. Shelley. "Studies of Model Systems for Intermolecular Interactions in Proteins." In Spectroscopy of Biological Molecules, 67–68. Dordrecht: Springer Netherlands, 1995. http://dx.doi.org/10.1007/978-94-011-0371-8_29.
Full textPrice, Sarah L. "Toward More Accurate Model Intermolecular Potentials for Organic Molecules." In Reviews in Computational Chemistry, 225–89. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2007. http://dx.doi.org/10.1002/9780470125915.ch4.
Full textBaev, Alexei K. "Reverse Dative Bond in Organic Compounds, Molecular Complexes and Inconsistency of the sp 3-Hybridization Model with Respect to Carbon Atom." In Specific Intermolecular Interactions of Organic Compounds, 1–28. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-21622-0_1.
Full textMcMurray, John S., Zhiyong Ren, Pijus K. Mandal, and Xiaomin Chen. "Model of Intermolecular Interactions between High Affinity Phosphopeptides and Stat3." In Advances in Experimental Medicine and Biology, 543–44. New York, NY: Springer New York, 2009. http://dx.doi.org/10.1007/978-0-387-73657-0_238.
Full textPrice, S. L. "Potentials for the Classical Simulation of Molecular Systems: Current and Future Model Intermolecular Potentials." In Computer Simulation in Materials Science, 183–208. Dordrecht: Springer Netherlands, 1991. http://dx.doi.org/10.1007/978-94-011-3546-7_9.
Full textCharton, M. "The Application of the Intermolecular Force Model to Bioactivity, Peptide and Protein Quantitative Structure-Activity Relationships." In Lipophilicity in Drug Action and Toxicology, 387–400. Weinheim, Germany: Wiley-VCH Verlag GmbH, 2008. http://dx.doi.org/10.1002/9783527614998.ch22.
Full textChmelová, K., J. Štěpánek, P. Y. Turpin, and J. Zachová. "Low-symmetry molecular single crystal as a model for vibrational study of intermolecular interactions of nucleic acid components and its analogues." In Spectroscopy of Biological Molecules: New Directions, 691–92. Dordrecht: Springer Netherlands, 1999. http://dx.doi.org/10.1007/978-94-011-4479-7_310.
Full textConference papers on the topic "Intermolecular model"
Kozmutza, Cornelia, Ede Kapuy, and Earl M. Evleth. "Localized supermolecular model for the calculation of intermolecular interaction energy." In The first European conference on computational chemistry (E.C.C.C.1). AIP, 1995. http://dx.doi.org/10.1063/1.47872.
Full textPathak, Saurabh, and Shao Wang. "A Dynamic Model of the Magnetic Head Slider With Contact and Off-Track Motion due to a Thermally Actuated Protrusion or a Moving Bump Involving Intermolecular Forces." In ASME 2016 Conference on Information Storage and Processing Systems. American Society of Mechanical Engineers, 2016. http://dx.doi.org/10.1115/isps2016-9614.
Full textLee, Taehun, and Paul F. Fischer. "A Lattice Boltzmann Equation Method Without Parasitic Currents and Its Application in Droplet Coalescence." In ASME 2006 2nd Joint U.S.-European Fluids Engineering Summer Meeting Collocated With the 14th International Conference on Nuclear Engineering. ASMEDC, 2006. http://dx.doi.org/10.1115/fedsm2006-98447.
Full textYang, Fuzheng, and Ranga Pitchumani. "A Model for Nonisothermal Healing of Thermoplastic Polymers During Fusion Bonding." In ASME 2001 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2001. http://dx.doi.org/10.1115/imece2001/htd-24363.
Full textWemhoff, Aaron P. "Predictions of Adsorption Enthalpy on Graphitic Surfaces Using Statistical Thermodynamics." In ASME 2013 Heat Transfer Summer Conference collocated with the ASME 2013 7th International Conference on Energy Sustainability and the ASME 2013 11th International Conference on Fuel Cell Science, Engineering and Technology. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/ht2013-17365.
Full textMoghimi Zand, M., and M. T. Ahmadian. "Influence of Intermolecular Forces on Dynamic Pull-In Instability of Micro/Nano Bridges." In ASME 2010 10th Biennial Conference on Engineering Systems Design and Analysis. ASMEDC, 2010. http://dx.doi.org/10.1115/esda2010-25095.
Full textMatar, Omar K. "Pattern Formation in Evaporating Drops With and Without Nanoparticles." In ASME 2011 9th International Conference on Nanochannels, Microchannels, and Minichannels. ASMEDC, 2011. http://dx.doi.org/10.1115/icnmm2011-58292.
Full textWang, Moran, and Zhixin Li. "Performance Predictions of MEMS-Based Nozzles at Moderate or Low Temperatures." In ASME 2004 2nd International Conference on Microchannels and Minichannels. ASMEDC, 2004. http://dx.doi.org/10.1115/icmm2004-2405.
Full textAlimohammadi, Sepideh, Lesley James, and Sohrab Zendehboudi. "A CPP Model to Asphaltene Precipitation; Mapping p-p Interactions onto an Equation of State." In SPE Canadian Energy Technology Conference. SPE, 2022. http://dx.doi.org/10.2118/208942-ms.
Full textMcMorrow, Dale, Napoleon Thantu, Valeria Kleiman, Joseph S. Melinger, William T. Lotshaw, Brian J. Loughnane, Richard A. Farrer, and John T. Fourkas. "Analysis of Intermolecular Coordinate Contributions to Third-Order Nonlinear-Optical Response of Liquids with a Quantum Harmonic-Oscillator Model." In Nonlinear Optics: Materials, Fundamentals and Applications. Washington, D.C.: OSA, 2000. http://dx.doi.org/10.1364/nlo.2000.wb29.
Full textReports on the topic "Intermolecular model"
Ostersetzer-Biran, Oren, and Jeffrey Mower. Novel strategies to induce male sterility and restore fertility in Brassicaceae crops. United States Department of Agriculture, January 2016. http://dx.doi.org/10.32747/2016.7604267.bard.
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