Academic literature on the topic 'Theoretical descriptors'
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Journal articles on the topic "Theoretical descriptors"
Dale, Stephen G., and Erin R. Johnson. "Theoretical Descriptors of Electrides." Journal of Physical Chemistry A 122, no. 49 (October 19, 2018): 9371–91. http://dx.doi.org/10.1021/acs.jpca.8b08548.
Full textLopesino, C., F. Balibrea-Iniesta, V. J. García-Garrido, S. Wiggins, and A. M. Mancho. "A Theoretical Framework for Lagrangian Descriptors." International Journal of Bifurcation and Chaos 27, no. 01 (January 2017): 1730001. http://dx.doi.org/10.1142/s0218127417300014.
Full textRivera, Jose Luis, Pedro Navarro-Santos, Luis Hernandez-Gonzalez, and Roberto Guerra-Gonzalez. "Reactivity of Alkyldibenzothiophenes Using Theoretical Descriptors." Journal of Chemistry 2014 (2014): 1–8. http://dx.doi.org/10.1155/2014/215074.
Full textKanari, Lida, Adélie Garin, and Kathryn Hess. "From Trees to Barcodes and Back Again: Theoretical and Statistical Perspectives." Algorithms 13, no. 12 (December 11, 2020): 335. http://dx.doi.org/10.3390/a13120335.
Full textBabatunde, Olasupo Sabitu Babatunde, Adamu Uzairu, Gideon Adamu Shallangwa, and Sani Uba. "THEORETICAL AND INSILCO PHARMACOKINETIC INVESTIGATIONS ON SOME PHENYL PIPERIDINE DERIVATIVES AS NOVEL ANTIDEPRESSANT AGENTS." Journal of Engineering and Exact Sciences 6, no. 2 (June 17, 2020): 0107–28. http://dx.doi.org/10.18540/jcecvl6iss2pp0107-0128.
Full textKreiner, Hamutal, and Eyal Gamliel. "“Alive” or “not dead”: The contribution of descriptors to attribute-framing bias." Quarterly Journal of Experimental Psychology 72, no. 12 (July 18, 2019): 2776–87. http://dx.doi.org/10.1177/1747021819862508.
Full textPark, Jung, Cho, Moon, and Han. "Theoretical Evaluation of Water Cloud Model Vegetation Parameters." Remote Sensing 11, no. 8 (April 12, 2019): 894. http://dx.doi.org/10.3390/rs11080894.
Full textNandi, Sisir, and Manish Bagchi. "QSAR of Chalcones Utilizing Theoretical Molecular Descriptors." Current Computer Aided-Drug Design 11, no. 2 (September 4, 2015): 184–93. http://dx.doi.org/10.2174/1573409911666150702101559.
Full textBashiri, Fereshteh S., Reihaneh Rostami, Peggy Peissig, Roshan M. D’Souza, and Zeyun Yu. "An Application of Manifold Learning in Global Shape Descriptors." Algorithms 12, no. 8 (August 16, 2019): 171. http://dx.doi.org/10.3390/a12080171.
Full textDENTSORAS, A. J. "Information generation during design: Information importance and design effort." Artificial Intelligence for Engineering Design, Analysis and Manufacturing 19, no. 1 (February 2005): 19–32. http://dx.doi.org/10.1017/s089006040505002x.
Full textDissertations / Theses on the topic "Theoretical descriptors"
Turner, Joseph Vernon. "Application of Artificial Neural Networks in Pharmacokinetics." University of Sydney, 2003. http://hdl.handle.net/2123/488.
Full textLee, Charlotte Tina. "Modeling movement : theoretical descriptions and consequences of long-distance dispersal /." For electronic version search Digital dissertations database. Restricted to UC campuses. Access is free to UC campus dissertations, 2002. http://uclibs.org/PID/11984.
Full textEkholm, Marcus. "Theoretical Descriptions of Complex Magnetism in Transition Metals and Their Alloys." Doctoral thesis, Linköpings universitet, Teoretisk Fysik, 2012. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-78781.
Full textYin, Jun. "Practical issues in theoretical descriptions of experimental quantum state and entanglement estimation." Thesis, University of Oregon, 2011. http://hdl.handle.net/1794/11579.
Full textWe study entanglement estimation and verification in realistic situations, taking into account experimental imperfections and statistical fluctuations due to finite data. We consider both photonic and spin-1/2 systems. We study how entanglement created with mixed photon wave packets is degraded. We apply statistical analysis to and propose criteria for reliable entanglement verification and estimation. Finally we devote some effort to making quantum state estimation efficient by applying information criteria. This dissertation includes previously published co-authored material.
Committee in charge: Michael G. Raymer, Chair; Steven J. van Enk, Advisor; Stephen Hs,u Member; Jens U. Noeckel, Member; Je rey A. Cina, Outside Member;
Carroll, Natalie R. Sohlberg Karl William Dr. "Theoretical descriptions of electron transport through single molecules: developing design tools for molecular electronic devices /." Philadelphia, Pa. : Drexel University, 2004. http://dspace.library.drexel.edu/handle/1860/330.
Full textSears, John Steven. "Minimalistic Descriptions of Nondynamical Electron Correlation: From Bond-Breaking to Transition-Metal Catalysis." Diss., Atlanta, Ga. : Georgia Institute of Technology, 2007. http://hdl.handle.net/1853/19807.
Full textCommittee Chair: C. David Sherrill; Committee Member: Jean-Luc Bredas; Committee Member: Mostafa El-Sayed; Committee Member: Peter J. Ludovice; Committee Member: Thomas Orlando.
Halldin, Stenlid Joakim. "Computational Studies of Chemical Interactions: Molecules, Surfaces and Copper Corrosion." Doctoral thesis, KTH, Tillämpad fysikalisk kemi, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-213028.
Full textDen kemiska bindningen – en hörnsten inom naturvetenskapen och oumbärlig för allt liv – är det centrala temat i den här avhandlingen. Både grundläggande och tillämpade aspekter behandlas. Detta inkluderar utvecklingen av nya beräkningsmetoder för förståelse och karaktärisering av kemiska interaktioner. Dessutom behandlas korrosion av kopparbaserade material. Det sistnämnda är motiverat av förslaget att använda koppar som inkapslingsmaterial för hanteringen av kärnavfall i Sverige. Kvantkemiska beräkningsmetoder enligt state-of-the-art har använts för att studera kemi på atomnivå, detta i nära sammabete med experimentella grupper. Initialt studerades oxidation av kopparnanopartiklar under syrgasfria och vattenrika förhållanden. Detta för att bättre kartlägga koppar-vattensystemets termodynamik. Av samma orsak detaljstuderades även gränsskiktet mellan vatten och kuprit med fokus på dess kemiska sammansättning och reaktivitet. Resultaten har jämförts med metanols och vätesulfids kemiska beteende på ytan av kuprit. En övergripande målsättningen under arbetet med att utveckla nya beräkningsbaserade analysverktyg för kemiska bindningar har varit att överbrygga gapet mellan molekylär- och materialkemi. Därför presenteras teoretiska aspekter samt tillämpningar från både ett molekylärt samt ett fast-fas perspektiv. En ny deskriptor för karaktärisering av föreningars lokala elektrofilicitet har introducerats – den lokala elektronadditionsenergin. Tillsammans med den elektrostatiska potentialen uppvisar den nya deskriptorn förmåga att förutsäga samt förklara regioselektivitet och trender för molekylära reaktioner, och för interaktioner på metal- och oxidbaserade nanopartiklar och ytor. En detaljerad förståelse av kemiska processer på atomnivå är en nödvändighet för ett effektivt utvecklande av kemivetenskapen. Vi förutspår därför att resultaten från den här avhandlingen kommer att få omfattande användning inom områden som heterogen katalys, läkemedelsdesign och nanoteknologi.
QC 20170829
Kakraba, Samuel. "A Hierarchical Graph for Nucleotide Binding Domain 2." Digital Commons @ East Tennessee State University, 2015. https://dc.etsu.edu/etd/2517.
Full textFamini, George R. "Theoretical descriptors in linear free energy relationships : the use and development of the theoretical linear solvation energy relationship in physical organic and medicinal chemistry /." Diss., 1999. http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqdiss&rft_dat=xri:pqdiss:3086944.
Full textBooks on the topic "Theoretical descriptors"
Jack, Kulas, ed. Anaphora and definite descriptions: Two applications of game-theoretical semantics. Dordrecht: D. Reidel, 1985.
Find full textThe semantics of Chinese aspects: Theoretical descriptions and a computational implementation. Frankfurt am Main: Peter Lang, 2007.
Find full textSAVEL'EVA, Ekaterina. Regulation and rationing of modern labor processes. ru: INFRA-M Academic Publishing LLC., 2020. http://dx.doi.org/10.12737/1003198.
Full textBizyuk, Aleksandr. Fundamentals of abnormal psychology. ru: INFRA-M Academic Publishing LLC., 2020. http://dx.doi.org/10.12737/974663.
Full textMayr, Gisela. Translanguaging and Critical Literacy: A Theoretical Introduction, Descriptors, and Lesson Plans for Teachers and Practitioners. Lang GmbH, Internationaler Verlag der Wissenschaften, Peter, 2022.
Find full textMayr, Gisela. Translanguaging and Critical Literacy: A Theoretical Introduction, Descriptors, and Lesson Plans for Teachers and Practitioners. Lang GmbH, Internationaler Verlag der Wissenschaften, Peter, 2022.
Find full textMayr, Gisela. Translanguaging and Critical Literacy: A Theoretical Introduction, Descriptors, and Lesson Plans for Teachers and Practitioners. Lang GmbH, Internationaler Verlag der Wissenschaften, Peter, 2022.
Find full textAnaphora and Definite Descriptions: Two Applications of Game-Theoretical Semantics. Springer, 2011.
Find full textKulas, J., and Jaakko Hintikka. Anaphora and Definite Descriptions: Two Applications of Game-Theoretical Semantics. Springer London, Limited, 2012.
Find full textFong, Vivienne. World Englishes and Syntactic and Semantic Theory. Edited by Markku Filppula, Juhani Klemola, and Devyani Sharma. Oxford University Press, 2014. http://dx.doi.org/10.1093/oxfordhb/9780199777716.013.018.
Full textBook chapters on the topic "Theoretical descriptors"
Nitta, Koh-Hei. "Graph-Theoretical Descriptors for Branched Polymers." In Statistical Modelling of Molecular Descriptors in QSAR/QSPR, 175–99. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2012. http://dx.doi.org/10.1002/9783527645121.ch6.
Full textShalini, Prabhat Ranjan, and Tanmoy Chakraborty. "Theoretical Computation of Periodic Descriptors Invoking Periodic Properties." In Chemical Science and Engineering Technology, 31–40. First edition. | Waretown, NJ: Apple Academic Press, 2019.: Apple Academic Press, 2019. http://dx.doi.org/10.1201/9781351048323-3.
Full textMaroulis, George. "Reduction of Dimensionality, Order, and Classification in Spaces of Theoretical Descriptions of Molecules: An Approach Based on Metrics, Pattern Recognition Techniques, and Graph Theoretic Considerations." In Statistical Modelling of Molecular Descriptors in QSAR/QSPR, 349–64. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2012. http://dx.doi.org/10.1002/9783527645121.ch13.
Full textCalzada-Ledesma, Valentín, Héctor José Puga-Soberanes, Alfonso Rojas-Domínguez, Manuel Ornelas-Rodriguez, Martín Carpio, and Claudia Guadalupe Gómez. "A Comparison of Image Texture Descriptors for Pattern Classification." In Fuzzy Logic Augmentation of Neural and Optimization Algorithms: Theoretical Aspects and Real Applications, 515–25. Cham: Springer International Publishing, 2018. http://dx.doi.org/10.1007/978-3-319-71008-2_37.
Full textRanjan, Prabhat, Pancham Kumar, and Tanmoy Chakraborty. "Theoretical Analysis of CuTiS2 and CuTiSe2 Invoking Density Functional Theory-Based Descriptors." In Mathematics Applied to Engineering in Action, 61–70. Includes bibliographical references and index.: Apple Academic Press, 2020. http://dx.doi.org/10.1201/9781003055174-3.
Full textRanjan, Prabhat, Srujana Venigalla, Ajay Kumar, and Tanmoy Chakraborty. "A Theoretical Analysis of Bimetallic Ag–Aun (N = 1–7) Nanoalloy Clusters Invoking DFT-Based Descriptors." In Research Methodology in Chemical Sciences, 337–45. Toronto : Apple Academic Press, 2016.: Apple Academic Press, 2017. http://dx.doi.org/10.1201/9781315366616-18.
Full textGramatica, Paola. "Chemometric Methods and Theoretical Molecular Descriptors in Predictive QSAR Modeling of the Environmental Behavior of Organic Pollutants." In Challenges and Advances in Computational Chemistry and Physics, 327–66. Dordrecht: Springer Netherlands, 2009. http://dx.doi.org/10.1007/978-1-4020-9783-6_12.
Full textHintikka, Jaakko, and Jack Kulas. "General Theoretical Issues." In Anaphora and Definite Descriptions, 129–55. Dordrecht: Springer Netherlands, 1985. http://dx.doi.org/10.1007/978-94-009-5410-6_6.
Full textDhail, Seema, Prabhat Ranjan, and Tanmoy Chakraborty. "Correlation of the Experimental and Theoretical Study of some Novel 2-Phenazinamine Derivatives in terms of DFT-Based Descriptors." In Crystallizing Ideas – The Role of Chemistry, 97–111. Cham: Springer International Publishing, 2016. http://dx.doi.org/10.1007/978-3-319-31759-5_7.
Full textHintikka, Jaakko, and Jack Kulas. "Introduction to Game-Theoretical Semantics." In Anaphora and Definite Descriptions, 1–30. Dordrecht: Springer Netherlands, 1985. http://dx.doi.org/10.1007/978-94-009-5410-6_1.
Full textConference papers on the topic "Theoretical descriptors"
Cuk, Tanja. "Resolving a catalytic mechanism at an electrode surface with high time-resolution: Experimental identification of theoretical descriptors." In nanoGe Fall Meeting 2021. València: Fundació Scito, 2021. http://dx.doi.org/10.29363/nanoge.nfm.2021.223.
Full textD'Zmura, Michael, and Geoffrey Iverson. "Color constancy: adaptation to the illumination environment." In Advances in Color Vision. Washington, D.C.: Optica Publishing Group, 1992. http://dx.doi.org/10.1364/acv.1992.fe2.
Full textRodríguez-Borges, J., Liane Saíz-Urra, Yunierkis Pérez-Castillo, Maykel González, Reinaldo Ruiz, M. Natália Cordeiro, and Xerardo García-Mera. "Theoretical Prediction of Antiproliferative Activity against Murine Leukemia Tumor Cell Line (L1210). 3D-Morse Descriptors and its Application in Computational Chemistry." In The 12th International Electronic Conference on Synthetic Organic Chemistry. Basel, Switzerland: MDPI, 2008. http://dx.doi.org/10.3390/ecsoc-12-01277.
Full textGolovnyova, Yuliya, and Albina Novikova. "METAPHORIC REPRESENTATION OF THE CONCEPT “CREATIVE PROCESS” IN V. NABOKOV’S NOVEL “THE GIFT”." In Aktuální problémy výuky ruského jazyka XIV. Brno: Masaryk University Press, 2020. http://dx.doi.org/10.5817/cz.muni.p210-9781-2020-10.
Full textAntoci, Diana. "Value Orientations in Education System: Approach, Interpretation, and Formation." In World Lumen Congress 2021, May 26-30, 2021, Iasi, Romania. LUMEN Publishing House, 2022. http://dx.doi.org/10.18662/wlc2021/02.
Full textNagaraja, S., and C. J. Prabhakar. "Curvelet based CRLBP texture descriptor for facial expression recognition." In 2015 International Conference on Applied and Theoretical Computing and Communication Technology (iCATccT). IEEE, 2015. http://dx.doi.org/10.1109/icatcct.2015.7456968.
Full textChen, Xiaohong, Xi Wu, Mengyao Zhao, and Haiying Sun. "Verifying the Relationship Among Three Descriptions in Problem Frames Using CSP." In 2019 International Symposium on Theoretical Aspects of Software Engineering (TASE). IEEE, 2019. http://dx.doi.org/10.1109/tase.2019.00010.
Full textRethfeld, Bärbel, Stefan Linden, L. Englert, M. Wollenhaupt, L. Haag, C. Sarpe-Tudoran, and T. Baumert. "Electron generation in laser-irradiated insulators: theoretical descriptions and their application." In High-Power Laser Ablation 2008, edited by Claude R. Phipps. SPIE, 2008. http://dx.doi.org/10.1117/12.784630.
Full textZivkovic, Z., and B. Krose. "On Matching Interest Regions Using Local Descriptors - Can an Information Theoretic Approach Help?" In British Machine Vision Conference 2005. British Machine Vision Association, 2005. http://dx.doi.org/10.5244/c.19.4.
Full textHuet, Greg, Clément Fortin, and Yong Zeng. "Theoretical Foundations Supporting the Implementation of Complementary Information Structures Across the Life of a Product." In ASME 2012 11th Biennial Conference on Engineering Systems Design and Analysis. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/esda2012-82201.
Full textReports on the topic "Theoretical descriptors"
Wilson, Leland Y., and George R. Famini. Using Theoretical Descriptions in Structure Activity Relations. 3. Electronic Descriptors. Fort Belvoir, VA: Defense Technical Information Center, August 1988. http://dx.doi.org/10.21236/ada200482.
Full textFamini, George R. Using Theoretical Descriptors in Structural Activity Relationships. 5. A Review of the Theoretical Parameters. Fort Belvoir, VA: Defense Technical Information Center, July 1989. http://dx.doi.org/10.21236/ada213580.
Full textFamini, George R. Using Theoretical Descriptors in Structural Activity Relationships. 1. Molecular Volume. Fort Belvoir, VA: Defense Technical Information Center, January 1988. http://dx.doi.org/10.21236/ada191522.
Full textFamini, George R. Using Theoretical Descriptors in Structural Activity Relationships. 2. Polarizability Index. Fort Belvoir, VA: Defense Technical Information Center, September 1988. http://dx.doi.org/10.21236/ada199594.
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