Literatura académica sobre el tema "Open Shell Molecular Systems"
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Artículos de revistas sobre el tema "Open Shell Molecular Systems"
Nakano, Masayoshi y Benoît Champagne. "Nonlinear optical properties in open-shell molecular systems". Wiley Interdisciplinary Reviews: Computational Molecular Science 6, n.º 2 (25 de febrero de 2016): 198–210. http://dx.doi.org/10.1002/wcms.1242.
Texto completoZhang, Yu, Linqiu Li, Sergei Tretiak y Tammie Nelson. "Nonadiabatic Excited-State Molecular Dynamics for Open-Shell Systems". Journal of Chemical Theory and Computation 16, n.º 4 (2 de marzo de 2020): 2053–64. http://dx.doi.org/10.1021/acs.jctc.9b00928.
Texto completoFeldt, Milica y Ricardo A. Mata. "Hybrid Local Molecular Orbital: Molecular Orbital Calculations for Open Shell Systems". Journal of Chemical Theory and Computation 14, n.º 10 (28 de agosto de 2018): 5192–202. http://dx.doi.org/10.1021/acs.jctc.8b00727.
Texto completoNakano, Masayoshi, Kotaro Fukuda, Soichi Ito, Hiroshi Matsui, Takanori Nagami, Shota Takamuku, Yasutaka Kitagawa y Benoît Champagne. "Diradical and Ionic Characters of Open-Shell Singlet Molecular Systems". Journal of Physical Chemistry A 121, n.º 4 (20 de enero de 2017): 861–73. http://dx.doi.org/10.1021/acs.jpca.6b11647.
Texto completoNakano, Masayoshi y Benoît Champagne. "Theoretical Design of Open-Shell Singlet Molecular Systems for Nonlinear Optics". Journal of Physical Chemistry Letters 6, n.º 16 (7 de agosto de 2015): 3236–56. http://dx.doi.org/10.1021/acs.jpclett.5b00956.
Texto completoHaque, Azizul y Uzi Kaldor. "Open-shell coupled-cluster theory applied to atomic and molecular systems". Chemical Physics Letters 117, n.º 4 (junio de 1985): 347–51. http://dx.doi.org/10.1016/0009-2614(85)85242-8.
Texto completoPerlt, Eva, Christina Apostolidou, Melanie Eggers y Barbara Kirchner. "Unrestricted Floating Orbitals for the Investigation of Open Shell Systems". International Journal of Chemistry 8, n.º 1 (26 de enero de 2016): 194. http://dx.doi.org/10.5539/ijc.v8n1p194.
Texto completoCheng, Lixue, Jiace Sun, J. Emiliano Deustua, Vignesh C. Bhethanabotla y Thomas F. Miller. "Molecular-orbital-based machine learning for open-shell and multi-reference systems with kernel addition Gaussian process regression". Journal of Chemical Physics 157, n.º 15 (21 de octubre de 2022): 154105. http://dx.doi.org/10.1063/5.0110886.
Texto completoFrishberg, C., L. Cohen y P. Blumenau. "Hartree-fock density matrix equation: Open-shell systems". International Journal of Quantum Chemistry 18, S14 (19 de junio de 2009): 161–65. http://dx.doi.org/10.1002/qua.560180820.
Texto completoPruitt, Spencer R., Dmitri G. Fedorov y Mark S. Gordon. "Geometry Optimizations of Open-Shell Systems with the Fragment Molecular Orbital Method". Journal of Physical Chemistry A 116, n.º 20 (11 de mayo de 2012): 4965–74. http://dx.doi.org/10.1021/jp302448z.
Texto completoTesis sobre el tema "Open Shell Molecular Systems"
BRUNO, GIOVANNA. "QUANTUM OBSERVABLES OF OPEN-SHELL SYSTEMS. A THEORETICAL STUDY". Doctoral thesis, Università degli Studi di Milano, 2022. http://hdl.handle.net/2434/936434.
Texto completoRepiscak, Peter. "Computational chemistry for complex systems : open-shell molecules to conjugated organic materials". Thesis, Heriot-Watt University, 2017. http://hdl.handle.net/10399/3348.
Texto completoAnacker, Tony. "Incremental Scheme for Open-Shell Systems". Doctoral thesis, Universitätsbibliothek Chemnitz, 2016. http://nbn-resolving.de/urn:nbn:de:bsz:ch1-qucosa-197726.
Texto completoEconomides, George. "Investigations of open-shell open-shell Van der Waals complexes". Thesis, University of Oxford, 2013. http://ora.ox.ac.uk/objects/uuid:e27330e0-2eaa-4181-af30-70e8b7a3a692.
Texto completoDennis, Christopher Roger. "High resolution spectroscopy of open shell clusters". Thesis, University of Oxford, 1997. http://ora.ox.ac.uk/objects/uuid:43ac8ad5-724a-4a23-a03f-3eb78e6f4e72.
Texto completoMurphy, Paul. "Development and applications of quantum chemistry to open shell systems". Thesis, Heriot-Watt University, 2017. http://hdl.handle.net/10399/3355.
Texto completoAchrainer, Florian. "The role of open-shell intermediates in biological and pharmaceutical systems". Diss., Ludwig-Maximilians-Universität München, 2015. http://nbn-resolving.de/urn:nbn:de:bvb:19-183081.
Texto completoChakravarty, Charusita. "Open shell van der Waals complexes : spectra and dynamics of Ar-OH". Thesis, University of Cambridge, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.358606.
Texto completoAchrainer, Florian Verfasser] y Hendrik [Akademischer Betreuer] [Zipse. "The role of open-shell intermediates in biological and pharmaceutical systems / Florian Achrainer. Betreuer: Hendrik Zipse". München : Universitätsbibliothek der Ludwig-Maximilians-Universität, 2015. http://d-nb.info/107237661X/34.
Texto completoKemp, Christopher McGowan. "The cellular ligand field stabilisation energy : a new term for modelling open-shell transition metals within molecular mechanics". Thesis, University of Bath, 1993. https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.332779.
Texto completoLibros sobre el tema "Open Shell Molecular Systems"
Roychowdhury, Rina Basu. Polarization propagator calculations for open and closed shell systems. 1985.
Buscar texto completoShell Scripting Recipes: A Problem-Solution Approach (Expert's Voice in Open Source). Apress, 2005.
Buscar texto completoExcitation Energies and Properties of Open-Shell Singlet Molecules: Applications to a New Class of Molecules for Nonlinear Optics and Singlet Fission. Springer, 2014.
Buscar texto completoRice, Peter M., Alan J. Bleasby y Jon C. Ison. Emboss Developer's Guide: Bioinformatics Programming. Cambridge University Press, 2011.
Buscar texto completoBioinformatics Programming with EMBOSS. Cambridge University Press, 2008.
Buscar texto completoRice, Peter M., Alan J. Bleasby y Jon C. Ison. EMBOSS Developer's Guide: Bioinformatics Programming. Cambridge University Press, 2012.
Buscar texto completoRice, Peter M., Alan J. Bleasby y Jon C. Ison. EMBOSS Developer's Guide: Bioinformatics Programming. Cambridge University Press, 2011.
Buscar texto completoBernstein, Joel. Polymorphism in Molecular Crystals. Oxford University Press, 2020. http://dx.doi.org/10.1093/oso/9780199655441.001.0001.
Texto completoSherwood, Dennis y Paul Dalby. Temperature and heat. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198782957.003.0003.
Texto completoCapítulos de libros sobre el tema "Open Shell Molecular Systems"
Kepenekian, M., R. Robles, R. Korytár y N. Lorente. "Simulations of Constant Current STM Images of Open-Shell Systems". En Imaging and Manipulating Molecular Orbitals, 117–36. Berlin, Heidelberg: Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-38809-5_10.
Texto completoKaldor, Uzi. "Open-Shell Coupled-Cluster Studies of Atomic and Molecular Systems". En Condensed Matter Theories, 83–92. Boston, MA: Springer US, 1988. http://dx.doi.org/10.1007/978-1-4613-0971-0_7.
Texto completoAquilanti, V., R. Candori, D. Cappelletti y F. Pirani. "Potential Energy Curves of Open Shell Systems (Excimers) from Molecular Beam Scattering". En Nonequilibrium Processes in Partially Ionized Gases, 383–91. Boston, MA: Springer US, 1990. http://dx.doi.org/10.1007/978-1-4615-3780-9_27.
Texto completoMorita, Yasushi y Akira Ueda. "Curved π-Conjugated Stable Open-Shell Systems Possessing Three-Dimensional Molecular/Electronic Spin Structures". En Fragments of Fullerenes and Carbon Nanotubes, 95–134. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2011. http://dx.doi.org/10.1002/9781118011263.ch4.
Texto completoKubo, Takashi. "Open-Shell π-Conjugated Hydrocarbons". En Organic Redox Systems, 287–309. Hoboken, NJ: John Wiley & Sons, Inc, 2015. http://dx.doi.org/10.1002/9781118858981.ch9.
Texto completoYon-Kahn, Jeannine y Guy Hervé. "Living Beings, Open Systems". En Molecular and Cellular Enzymology, 63–82. Berlin, Heidelberg: Springer Berlin Heidelberg, 2009. http://dx.doi.org/10.1007/978-3-642-01228-0_4.
Texto completoKahn, Olivier. "Bricks and Open-Shell Buildings in Molecular Magnetism". En Modular Chemistry, 287–302. Dordrecht: Springer Netherlands, 1997. http://dx.doi.org/10.1007/978-94-011-5582-3_26.
Texto completoVisser, O., P. J. C. Aerts y L. Visscher. "Open Shell Relativistic Molecular Dirac-Hartree-Fock SCF-Program". En The Effects of Relativity in Atoms, Molecules, and the Solid State, 185–95. Boston, MA: Springer US, 1991. http://dx.doi.org/10.1007/978-1-4615-3702-1_12.
Texto completoLindgren, Ingvar y John Morrison. "Application of Perturbation Theory to Open-Shell Systems". En Atomic Many-Body Theory, 285–334. Berlin, Heidelberg: Springer Berlin Heidelberg, 1986. http://dx.doi.org/10.1007/978-3-642-61640-2_13.
Texto completoUrban, W., A. Hinz, W. Bohle y D. Zeitz. "IR-Laser Spectroscopy of Free Radicals and Open-Shell Molecular Ions". En Laser/Optoelektronik in der Technik / Laser/Optoelectronics in Engineering, 120–23. Berlin, Heidelberg: Springer Berlin Heidelberg, 1986. http://dx.doi.org/10.1007/978-3-642-82638-2_24.
Texto completoActas de conferencias sobre el tema "Open Shell Molecular Systems"
Glushkov, V. N. y Artyom Y. Tsaune. "State-specific perturbational treatment for correlation energy of open-shell systems". En 12th Symposium and School on High Resolution Molecular Spectroscopy, editado por Leonid N. Sinitsa, Yurii N. Ponomarev y Valery I. Perevalov. SPIE, 1997. http://dx.doi.org/10.1117/12.267737.
Texto completoMiller, Terry A. "Clusters containing open-shell molecules". En OSA Annual Meeting. Washington, D.C.: Optica Publishing Group, 1992. http://dx.doi.org/10.1364/oam.1992.mee1.
Texto completoYurchenko, Sergei, Maire Gorman, Elizaveta Pyatenko, Heng Li, James Ashford y Jonathan Tennyson. "COMPUTING SPECTRA OF OPEN-SHELL DIATOMIC MOLECULES WITH DUO". En 73rd International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2018. http://dx.doi.org/10.15278/isms.2018.wh05.
Texto completoYurchenko, Sergei. "NON-ADIABATIC CALCULATIONS OF SPECTRA OF OPEN-SHELL DIATOMIC MOLECULES". En 2021 International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2021. http://dx.doi.org/10.15278/isms.2021.we14.
Texto completoDouberly, Gary y Christopher Moradi. "ON THE STARK EFFECT IN OPEN SHELL COMPLEXES EXHIBITING PARTIALLY QUENCHED ELECTRONIC ANGULAR MOMENTUM". En 70th International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2015. http://dx.doi.org/10.15278/isms.2015.th04.
Texto completoFawzy, Wafaa y Jon Hougen. "AB INITIO EXPLORATION OF THE POTENTIAL ENERGY SURFACE OF THE O2-SO2 OPEN-SHELL COMPLEX." En 71st International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2016. http://dx.doi.org/10.15278/isms.2016.tk12.
Texto completoVARGA, S., A. ROSÉN, J. ANTON y B. FRICKE. "RELATIVISTIC DENSITY FUNCTIONAL CALCULATIONS FOR OPEN–SHELL SYSTEMS". En Clusters and Nano-Assemblies - Physical and Biological Systems. WORLD SCIENTIFIC, 2005. http://dx.doi.org/10.1142/9789812701879_0003.
Texto completoKamath, Ayodh V. "Digitally Designed Architectural Form-Built Using Craft-Based Fabrication – Weaving a Complex Surface as a Bamboo Reticulated Shell". En CAADRIA 2013: Open Systems. CAADRIA, 2013. http://dx.doi.org/10.52842/conf.caadria.2013.623.
Texto completoNakano, Masayoshi, Kyohei Yoneda, Ryohei Kishi, Hideaki Takahashi, Takashi Kubo, Kenji Kamada, Koji Ohta, Benoı̂t Champagne y Edith Botek. "One- and two-photon absorptions in open-shell singlet systems". En INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009: (ICCMSE 2009). AIP, 2012. http://dx.doi.org/10.1063/1.4771708.
Texto completoDatta, Dipayan, Debashis Mukherjee, Pawel Danielewicz, Piotr Piecuch y Vladimir Zelevinsky. "A compact spin-free coupled-cluster theory for open-shell systems". En NUCLEI AND MESOSCOPIC PHYSICS: Workshop on Nuclei and Mesoscopic Physic - WNMP 2007. AIP, 2008. http://dx.doi.org/10.1063/1.2915614.
Texto completoInformes sobre el tema "Open Shell Molecular Systems"
Barefoot, Susan F., Bonita A. Glatz, Nathan Gollop y Thomas A. Hughes. Bacteriocin Markers for Propionibacteria Gene Transfer Systems. United States Department of Agriculture, junio de 2000. http://dx.doi.org/10.32747/2000.7573993.bard.
Texto completoBar-Joseph, Moshe, William O. Dawson y Munir Mawassi. Role of Defective RNAs in Citrus Tristeza Virus Diseases. United States Department of Agriculture, septiembre de 2000. http://dx.doi.org/10.32747/2000.7575279.bard.
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