Статті в журналах з теми "Theoretical quantum chemistry"
Оформте джерело за APA, MLA, Chicago, Harvard та іншими стилями
Ознайомтеся з топ-50 статей у журналах для дослідження на тему "Theoretical quantum chemistry".
Біля кожної праці в переліку літератури доступна кнопка «Додати до бібліографії». Скористайтеся нею – і ми автоматично оформимо бібліографічне посилання на обрану працю в потрібному вам стилі цитування: APA, MLA, «Гарвард», «Чикаго», «Ванкувер» тощо.
Також ви можете завантажити повний текст наукової публікації у форматі «.pdf» та прочитати онлайн анотацію до роботи, якщо відповідні параметри наявні в метаданих.
Переглядайте статті в журналах для різних дисциплін та оформлюйте правильно вашу бібліографію.
Chechetkina, Irina Igorevna. "Interpretation in theoretical chemistry (on the example of quantum chemistry and classical theory of structure." Философская мысль, no. 12 (December 2021): 43–53. http://dx.doi.org/10.25136/2409-8728.2021.12.36840.
Повний текст джерелаFlick, Johannes, Nicholas Rivera, and Prineha Narang. "Strong light-matter coupling in quantum chemistry and quantum photonics." Nanophotonics 7, no. 9 (September 8, 2018): 1479–501. http://dx.doi.org/10.1515/nanoph-2018-0067.
Повний текст джерелаDykstra, C. E., and B. Kirtman. "Local Quantum Chemistry." Annual Review of Physical Chemistry 41, no. 1 (October 1990): 155–74. http://dx.doi.org/10.1146/annurev.pc.41.100190.001103.
Повний текст джерелаW.J.O.-T. "Quantum Chemistry." Journal of Molecular Structure: THEOCHEM 279 (February 1993): 321–22. http://dx.doi.org/10.1016/0166-1280(93)90081-l.
Повний текст джерелаBarden, Christopher J., and Henry F. Schaefer. "Quantum chemistry in the 21st century (Special topic article)." Pure and Applied Chemistry 72, no. 8 (January 1, 2000): 1405–23. http://dx.doi.org/10.1351/pac200072081405.
Повний текст джерелаKilina, Svetlana V., Patrick K. Tamukong, and Dmitri S. Kilin. "Surface Chemistry of Semiconducting Quantum Dots: Theoretical Perspectives." Accounts of Chemical Research 49, no. 10 (September 26, 2016): 2127–35. http://dx.doi.org/10.1021/acs.accounts.6b00196.
Повний текст джерелаMartínez González, Juan Camilo. "About the Ontology of Quantum Chemistry." Tópicos, Revista de Filosofía, no. 58 (December 13, 2019): 325–46. http://dx.doi.org/10.21555/top.v0i58.1045.
Повний текст джерелаTermath, V. "Quantum Mechanics in Chemistry." Zeitschrift für Physikalische Chemie 205, Part_1 (January 1998): 135. http://dx.doi.org/10.1524/zpch.1998.205.part_1.135.
Повний текст джерелаZhang, Ming, Zhi Xiong Huang, and Min Xian Shi. "Quantum Chemistry Theoretical Studies on Molecular Structures of Polybutadiene." Advanced Materials Research 87-88 (December 2009): 130–33. http://dx.doi.org/10.4028/www.scientific.net/amr.87-88.130.
Повний текст джерелаLeduc, Michèle, and Jacques Vigué. "Interplay between Theoretical Quantum Chemistry and Cold Atom Experiments." Theoretical Chemistry Accounts 116, no. 4-5 (June 15, 2006): 598–607. http://dx.doi.org/10.1007/s00214-006-0105-5.
Повний текст джерелаDavidson, Ernest R. "Insights into theoretical quantum chemistry from electron momentum spectroscopy." Canadian Journal of Physics 74, no. 11-12 (November 1, 1996): 757–62. http://dx.doi.org/10.1139/p96-109.
Повний текст джерелаHelgaker, Trygve, Wim Klopper, and David P. Tew. "Quantitative quantum chemistry." Molecular Physics 106, no. 16-18 (August 20, 2008): 2107–43. http://dx.doi.org/10.1080/00268970802258591.
Повний текст джерелаSimons, Jack. "An experimental chemist's guide to ab initio quantum chemistry." Journal of Physical Chemistry 95, no. 3 (February 1991): 1017–29. http://dx.doi.org/10.1021/j100156a002.
Повний текст джерелаBalasubramanian, Krishnan, and Satya P. Gupta. "Quantum Molecular Dynamics, Topological, Group Theoretical and Graph Theoretical Studies of Protein-Protein Interactions." Current Topics in Medicinal Chemistry 19, no. 6 (May 2, 2019): 426–43. http://dx.doi.org/10.2174/1568026619666190304152704.
Повний текст джерелаMaslen, V. W. "Andrew Crowther Hurley 19261988." Historical Records of Australian Science 14, no. 2 (2002): 169. http://dx.doi.org/10.1071/hr02010.
Повний текст джерелаRoman, Maciej, and Malgorzata Baranska. "Natural monoacetylenes studied by quantum-chemical chemistry." Spectroscopy 24, no. 3-4 (2010): 417–20. http://dx.doi.org/10.1155/2010/362967.
Повний текст джерелаHirata, So. "Symbolic Algebra in Quantum Chemistry." Theoretical Chemistry Accounts 116, no. 1-3 (January 6, 2006): 2–17. http://dx.doi.org/10.1007/s00214-005-0029-5.
Повний текст джерелаKünne, L. "Conceptual Perspectives in Quantum Chemistry." Zeitschrift für Physikalische Chemie 211, Part_2 (January 1999): 225–26. http://dx.doi.org/10.1524/zpch.1999.211.part_2.225.
Повний текст джерелаFlad, Heinz-Jürgen, Thorsten Rohwedder, and Reinhold Schneider. "Adaptive Methods in Quantum Chemistry." Zeitschrift für Physikalische Chemie 224, no. 3-4 (April 2010): 651–69. http://dx.doi.org/10.1524/zpch.2010.6129.
Повний текст джерелаCavalleri, Matteo. "Quantum chemistry reloaded." International Journal of Quantum Chemistry 113, no. 1 (November 22, 2012): 1. http://dx.doi.org/10.1002/qua.24364.
Повний текст джерелаZhang, Yun-Guang, Hua Zhang, Hai-Yang Song, You Yu, and Ming-Jie Wan. "Theoretical investigation on spin-forbidden cooling transitions of gallium hydride." Physical Chemistry Chemical Physics 19, no. 36 (2017): 24647–55. http://dx.doi.org/10.1039/c7cp02295f.
Повний текст джерелаHush, Noel S., and Leo Radom. "David Parker Craig AO FAA. 23 December 1919—1 July 2015." Biographical Memoirs of Fellows of the Royal Society 64 (August 30, 2017): 107–29. http://dx.doi.org/10.1098/rsbm.2017.0017.
Повний текст джерелаHush, Noel S., and Leo Radom. "David Parker Craig 1919–2015." Historical Records of Australian Science 28, no. 2 (2017): 159. http://dx.doi.org/10.1071/hr17018.
Повний текст джерелаHinchliffe, Alan. "Quantum mechanics in chemistry." Journal of Molecular Structure: THEOCHEM 313, no. 3 (October 1994): 365. http://dx.doi.org/10.1016/0166-1280(94)85019-4.
Повний текст джерелаPan, Sudip, and Gernot Frenking. "A Critical Look at Linus Pauling’s Influence on the Understanding of Chemical Bonding." Molecules 26, no. 15 (August 3, 2021): 4695. http://dx.doi.org/10.3390/molecules26154695.
Повний текст джерелаKaijser, Per. "Will quantum chemistry benefit from quantum computers?" International Journal of Quantum Chemistry 109, no. 13 (November 5, 2009): 3003–7. http://dx.doi.org/10.1002/qua.22062.
Повний текст джерелаMatlock, Matthew K., Max Hoffman, Na Le Dang, Dakota L. Folmsbee, Luke A. Langkamp, Geoffrey R. Hutchison, Neeraj Kumar, Kathryn Sarullo, and S. Joshua Swamidass. "Deep Learning Coordinate-Free Quantum Chemistry." Journal of Physical Chemistry A 125, no. 40 (October 5, 2021): 8978–86. http://dx.doi.org/10.1021/acs.jpca.1c04462.
Повний текст джерелаGordon, Mark S., Giuseppe Barca, Sarom S. Leang, David Poole, Alistair P. Rendell, Jorge L. Galvez Vallejo, and Bryce Westheimer. "Novel Computer Architectures and Quantum Chemistry." Journal of Physical Chemistry A 124, no. 23 (May 7, 2020): 4557–82. http://dx.doi.org/10.1021/acs.jpca.0c02249.
Повний текст джерелаGey, E. "Atoms in Molecules. A Quantum Chemistry." Zeitschrift für Physikalische Chemie 190, Part_2 (January 1995): 307–8. http://dx.doi.org/10.1524/zpch.1995.190.part_2.307a.
Повний текст джерелаUrbanek, Miroslav, Daan Camps, Roel Van Beeumen, and Wibe A. de Jong. "Chemistry on Quantum Computers with Virtual Quantum Subspace Expansion." Journal of Chemical Theory and Computation 16, no. 9 (August 21, 2020): 5425–31. http://dx.doi.org/10.1021/acs.jctc.0c00447.
Повний текст джерелаHastings, Matthew B., Dave Wecker, Bela Bauer, and Matthias Troyer. "Improving quantum algorithms for quantum chemistry." Quantum Information and Computation 15, no. 1&2 (January 2015): 1–21. http://dx.doi.org/10.26421/qic15.1-2-1.
Повний текст джерелаChagovets, VV, NL Starodubtseva, and VE Frankevich. "Complexes of fluconazole with alanine, lysine and threonine: mass spectrometry and theoretical modeling." MicroRNA in ocular pathology, no. 2020(4) (August 2020): 54–59. http://dx.doi.org/10.24075/brsmu.2020.048.
Повний текст джерелаAzad, Utkarsh, and Harjinder Singh. "Quantum chemistry calculations using energy derivatives on quantum computers." Chemical Physics 558 (June 2022): 111506. http://dx.doi.org/10.1016/j.chemphys.2022.111506.
Повний текст джерелаWerner, Hans-Joachim, Peter J. Knowles, Frederick R. Manby, Joshua A. Black, Klaus Doll, Andreas Heßelmann, Daniel Kats, et al. "The Molpro quantum chemistry package." Journal of Chemical Physics 152, no. 14 (April 14, 2020): 144107. http://dx.doi.org/10.1063/5.0005081.
Повний текст джерелаLiu, Wenjian. "Essentials of relativistic quantum chemistry." Journal of Chemical Physics 152, no. 18 (May 14, 2020): 180901. http://dx.doi.org/10.1063/5.0008432.
Повний текст джерелаByers Brown, W. "High symmetries in quantum chemistry." Chemical Physics Letters 136, no. 2 (May 1987): 128–33. http://dx.doi.org/10.1016/0009-2614(87)80429-3.
Повний текст джерелаRassolov, Vitaly A., and Sophya Garashchuk. "Computational complexity in quantum chemistry." Chemical Physics Letters 464, no. 4-6 (October 2008): 262–64. http://dx.doi.org/10.1016/j.cplett.2008.09.026.
Повний текст джерелаWang, Lei, and Qi Chen. "Study on the Stabilization of Heavy Metal by Cement with Quantum Chemistry." Advanced Materials Research 955-959 (June 2014): 2935–39. http://dx.doi.org/10.4028/www.scientific.net/amr.955-959.2935.
Повний текст джерелаAutillo, Matthieu, Laetitia Guerin, Hélène Bolvin, Philippe Moisy, and Claude Berthon. "Magnetic susceptibility of actinide(iii) cations: an experimental and theoretical study." Physical Chemistry Chemical Physics 18, no. 9 (2016): 6515–25. http://dx.doi.org/10.1039/c5cp07456h.
Повний текст джерелаCasanova, David, and Anna I. Krylov. "Spin-flip methods in quantum chemistry." Physical Chemistry Chemical Physics 22, no. 8 (2020): 4326–42. http://dx.doi.org/10.1039/c9cp06507e.
Повний текст джерелаHandy, Nicholas C. "Quantum chemistry in the University of Cambridge." International Reviews in Physical Chemistry 7, no. 4 (October 1988): 351–70. http://dx.doi.org/10.1080/01442358809353217.
Повний текст джерелаLiu, Wenjian. "Ideas of relativistic quantum chemistry." Molecular Physics 108, no. 13 (May 24, 2010): 1679–706. http://dx.doi.org/10.1080/00268971003781571.
Повний текст джерелаH, A. "Quantum chemistry: basic aspects, actual trends, vol. 62 of studies in physical and theoretical chemistry." Journal of Molecular Structure: THEOCHEM 208, no. 1-2 (August 1990): 150. http://dx.doi.org/10.1016/0166-1280(92)80018-h.
Повний текст джерелаGAVROGLU, KOSTAS, and ANA SIMÕES. "Preparing the ground for quantum chemistry in Great Britain: the work of the physicist R. H. Fowler and the chemist N. V. Sidgwick." British Journal for the History of Science 35, no. 2 (June 2002): 187–212. http://dx.doi.org/10.1017/s0007087402004673.
Повний текст джерелаSato, Hirofumi. "A modern solvation theory: quantum chemistry and statistical chemistry." Physical Chemistry Chemical Physics 15, no. 20 (2013): 7450. http://dx.doi.org/10.1039/c3cp50247c.
Повний текст джерелаPitzer, Russell M. "Early Experiences with Computational Quantum Chemistry." Journal of Chemical Theory and Computation 7, no. 8 (July 13, 2011): 2346–47. http://dx.doi.org/10.1021/ct200335x.
Повний текст джерелаSmith, Daniel G. A., Annabelle T. Lolinco, Zachary L. Glick, Jiyoung Lee, Asem Alenaizan, Taylor A. Barnes, Carlos H. Borca, et al. "Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs." Journal of Chemical Physics 155, no. 20 (November 28, 2021): 204801. http://dx.doi.org/10.1063/5.0059356.
Повний текст джерелаPei, Hui Yi, Ai Fang Gao, and Zhen Ya Zhu. "The DFT Quantum Chemistry Study of Hexafluorobenzene." Advanced Materials Research 610-613 (December 2012): 106–10. http://dx.doi.org/10.4028/www.scientific.net/amr.610-613.106.
Повний текст джерелаGenoni, Alessandro. "On the use of the Obara–Saika recurrence relations for the calculation of structure factors in quantum crystallography." Acta Crystallographica Section A Foundations and Advances 76, no. 2 (February 11, 2020): 172–79. http://dx.doi.org/10.1107/s205327332000042x.
Повний текст джерелаReinhardt, Carsten. "IUPAC Engagement in the Instrumental Revolution." Chemistry International 41, no. 3 (July 1, 2019): 35–38. http://dx.doi.org/10.1515/ci-2019-0312.
Повний текст джерела