Статті в журналах з теми "DFT approach"
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Hassan, Thowayeb H., Amany E. Salem, and Mahmoud I. Saleh. "Digital-Free Tourism Holiday as a New Approach for Tourism Well-Being: Tourists’ Attributional Approach." International Journal of Environmental Research and Public Health 19, no. 10 (May 14, 2022): 5974. http://dx.doi.org/10.3390/ijerph19105974.
Повний текст джерелаMathew, Ben, and Daniel G. Saab. "Partial Reset: An Alternative DFT Approach." VLSI Design 1, no. 4 (January 1, 1994): 299–311. http://dx.doi.org/10.1155/1994/31646.
Повний текст джерелаTurkowski, Volodymyr, Alamgir Kabir, Neha Nayyar, and Talat S. Rahman. "A DFT + DMFT approach for nanosystems." Journal of Physics: Condensed Matter 22, no. 46 (November 4, 2010): 462202. http://dx.doi.org/10.1088/0953-8984/22/46/462202.
Повний текст джерелаJu, Xue-Hai, He-Ming Xiao, and Li-Tao Chen. "Periodic DFT approach to benzotrifuroxan crystal." International Journal of Quantum Chemistry 102, no. 2 (2005): 224–29. http://dx.doi.org/10.1002/qua.20362.
Повний текст джерелаWilbraham, Liam, François-Xavier Coudert, and Ilaria Ciofini. "Modelling photophysical properties of metal–organic frameworks: a density functional theory based approach." Physical Chemistry Chemical Physics 18, no. 36 (2016): 25176–82. http://dx.doi.org/10.1039/c6cp04056j.
Повний текст джерелаJavid, H., S. A. Aldaghfag, M. K. Butt, S. Mubashir, M. Yaseen, M. Ishfaq, S. Saleem, H. Elhosiny Ali, and H. H. Hegazy. "Physical characteristics of LaCrxAl1-xO3: DFT approach." Journal of Ovonic Research 18, no. 4 (June 2022): 481–89. http://dx.doi.org/10.15251/jor.2022.184.481.
Повний текст джерелаKhoo, Khoong Hong, and Robert Laskowski. "A perturbative DFT approach for magnetic anisotropy." Journal of Magnetism and Magnetic Materials 428 (April 2017): 246–49. http://dx.doi.org/10.1016/j.jmmm.2016.12.037.
Повний текст джерелаJu, Xue-Hai, He-Ming Xiao, and Qi-Ying Xia. "A periodic DFT approach to octanitrocubane crystal." Chemical Physics Letters 382, no. 1-2 (November 2003): 12–18. http://dx.doi.org/10.1016/j.cplett.2003.09.144.
Повний текст джерелаSarkar, U., D. R. Roy, P. K. Chattaraj, R. Parthasarathi, J. Padmanabhan, and V. Subramanian. "A conceptual DFT approach towards analysing toxicity." Journal of Chemical Sciences 117, no. 5 (September 2005): 599–612. http://dx.doi.org/10.1007/bf02708367.
Повний текст джерелаArya, B., P. Sachidanandan, and V. M. AnandaKumar. "Structural parameters of amphetamine: A DFT approach." Research Journal of Chemistry and Environment 28, no. 2 (December 28, 2023): 86–99. http://dx.doi.org/10.25303/282rjce86099.
Повний текст джерелаWang, Q., and Y. Zempo. "Unified Time Evolution Approach for the Electronic Structure Calculation." Journal of Physics: Conference Series 2207, no. 1 (March 1, 2022): 012037. http://dx.doi.org/10.1088/1742-6596/2207/1/012037.
Повний текст джерелаYasin, Mohd Yusuf. "Simplified approach to DFT computation for nonprogrammable scientific calculators." BIBECHANA 12 (December 8, 2014): 13–19. http://dx.doi.org/10.3126/bibechana.v12i0.11681.
Повний текст джерелаYokoi, Tatsuya, Kosuke Adachi, Sayuri Iwase, and Katsuyuki Matsunaga. "Accurate prediction of grain boundary structures and energetics in CdTe: a machine-learning potential approach." Physical Chemistry Chemical Physics 24, no. 3 (2022): 1620–29. http://dx.doi.org/10.1039/d1cp04329c.
Повний текст джерелаAsinas, J. M., W. Khaiwi, A. Miller, and P. Newland. "An Effective Approach for Endocrine Dynamic Function Tests Workflow and Reporting Using Cerner Millennium®." American Journal of Clinical Pathology 156, Supplement_1 (October 1, 2021): S50—S51. http://dx.doi.org/10.1093/ajcp/aqab191.102.
Повний текст джерелаFadhil Mohammed, Amal, Hayder A. Nahi, Akmam Majed Mosa, and Inas Kadhim. "Secure E-healthcare System Based on Biometric Approach." Data & Metadata 2 (July 8, 2023): 56. http://dx.doi.org/10.56294/dm202356.
Повний текст джерелаWang, Qian, Xiao Yan, and Kaiyu Qin. "Parameter Estimation Algorithm for the Exponential Signal by the Enhanced DFT Approach." Measurement Science Review 14, no. 3 (June 1, 2014): 126–35. http://dx.doi.org/10.2478/msr-2014-0017.
Повний текст джерелаXIANG, YUANTAO, and A. JAMNIK. "STRINGENT VERIFICATION OF THIRD ORDER + SECOND ORDER PERTURBATION DENSITY FUNCTION THEORY: BASED ON SHORT-RANGE SQUARE WELL POTENTIAL." International Journal of Modern Physics B 24, no. 32 (December 30, 2010): 6291–306. http://dx.doi.org/10.1142/s021797921005764x.
Повний текст джерелаBoz, Esra, and Nurcan Ş. Tüzün. "Ag-catalyzed azide alkyne cycloaddition: a DFT approach." Dalton Transactions 45, no. 13 (2016): 5752–64. http://dx.doi.org/10.1039/c5dt04902d.
Повний текст джерелаBelega, D., and D. Dallet. "Amplitude Estimation by a Multipoint Interpolated DFT Approach." IEEE Transactions on Instrumentation and Measurement 58, no. 5 (May 2009): 1316–23. http://dx.doi.org/10.1109/tim.2009.2012950.
Повний текст джерелаRayfield, James T., and Harvey F. Silverman. "An approach to DFT calculations using standard microprocessors." IBM Journal of Research and Development 29, no. 2 (March 1985): 170–76. http://dx.doi.org/10.1147/rd.292.0170.
Повний текст джерелаSiyamak Shahab and Masoome Sheikhi. "Antioxidant Properties of the Phorbol: A DFT Approach." Russian Journal of Physical Chemistry B 14, no. 1 (January 2020): 15–18. http://dx.doi.org/10.1134/s1990793120010145.
Повний текст джерелаDrska, L., and M. Sinor. "Average atom model and EOS calculations: DFT approach." Laser and Particle Beams 10, no. 2 (June 1992): 277–98. http://dx.doi.org/10.1017/s0263034600004419.
Повний текст джерелаKabir, Alamgir, Volodymyr Turkowski, and Talat S. Rahman. "A DFT+nonhomogeneous DMFT approach for finite systems." Journal of Physics: Condensed Matter 27, no. 12 (March 5, 2015): 125601. http://dx.doi.org/10.1088/0953-8984/27/12/125601.
Повний текст джерелаTyagi, Sarita, and Sunita Negi. "Calculation of Density of States of Pristine and Functionalized Carbon Nanotubes: A DFT Approach." Indian Journal Of Science And Technology 16, no. 40 (November 10, 2023): 3567–74. http://dx.doi.org/10.17485/ijst/v16i40.1019.
Повний текст джерелаHuang, Xiangdong, Jingwen Xu, and Zheng Wang. "A Novel Instantaneous Phase Detection Approach and Its Application in SSVEP-Based Brain-Computer Interfaces." Sensors 18, no. 12 (December 7, 2018): 4334. http://dx.doi.org/10.3390/s18124334.
Повний текст джерелаScholtzová, Eva. "Insight into the Structure of TMA-Hectorite: A Theoretical Approach." Minerals 11, no. 5 (May 11, 2021): 505. http://dx.doi.org/10.3390/min11050505.
Повний текст джерелаMohammed Mustafa Siddeq. "Image Compression using Fourier Transformation with Genetic Algorithm." Journal of Wasit for Science and Medicine 4, no. 1 (November 8, 2022): 1–11. http://dx.doi.org/10.31185/jwsm.129.
Повний текст джерелаBorah, Mukunda Madhab. "Structural and spectroscopic analysis of L‐Proline monomer and dimer by DFT approach." Vietnam Journal of Chemistry 60, no. 6 (September 22, 2022): 718–37. http://dx.doi.org/10.1002/vjch.202200014.
Повний текст джерелаHahn, Torsten, Tim Ludwig, Carsten Timm, and Jens Kortus. "Electronic structure, transport, and collective effects in molecular layered systems." Beilstein Journal of Nanotechnology 8 (October 6, 2017): 2094–105. http://dx.doi.org/10.3762/bjnano.8.209.
Повний текст джерелаVijayalakshmi, S., and S. Kalyanaraman. "DFT and TD-DFT approach for the analysis of NLO and OLED applications of 9-anthraldehyde." Optik 125, no. 10 (May 2014): 2429–32. http://dx.doi.org/10.1016/j.ijleo.2013.10.104.
Повний текст джерелаJeyavijayan, S., M. Ramuthai, and Palani Murugan. "Quantum Computational, Structural and Molecular Docking Analysis of 3,3,5,5-Tetramethyl-2-pyrrolidone: A DFT Approach." Asian Journal of Chemistry 34, no. 8 (2022): 2025–34. http://dx.doi.org/10.14233/ajchem.2022.23677.
Повний текст джерелаSARAÇ, KAMİl, ÖMER EĞECİOĞLU, and AMR EL ABBADI. "DFT TECHNIQUES FOR SIZE ESTIMATION OF DATABASE JOIN OPERATIONS." International Journal of Foundations of Computer Science 10, no. 01 (March 1999): 81–102. http://dx.doi.org/10.1142/s0129054199000071.
Повний текст джерелаKaur, Parneet. "DDOS Attack Detection using DFT Based Signal Processing Approach." International Journal for Research in Applied Science and Engineering Technology V, no. VIII (August 30, 2017): 1339–43. http://dx.doi.org/10.22214/ijraset.2017.8189.
Повний текст джерелаHasan, Tanveer, P. K. Singh, and S. H. Mehdi. "Vibrational Analysis of “Dimethylbipyridinylzinc (0) [C12H14N2Zn]”: A DFT Approach." SAMRIDDHI : A Journal of Physical Sciences, Engineering and Technology 11, no. 01 (July 25, 2019): 17–24. http://dx.doi.org/10.18090/samriddhi.v11i01.3.
Повний текст джерелаXi, Jiangtao, and Joe F. Chicharo. "A time-domain interpolation approach for DFT harmonic analysis." Signal Processing 58, no. 2 (April 1997): 181–92. http://dx.doi.org/10.1016/s0165-1684(97)00022-4.
Повний текст джерелаGuo-xin, Chen, P. P. Ong, and Lin Ting. "DFT approach for electron affinity of negative atomic ions." Chemical Physics Letters 290, no. 1-3 (June 1998): 211–15. http://dx.doi.org/10.1016/s0009-2614(98)00552-1.
Повний текст джерелаAquino, N., G. Campoy, and H. Yee-Madeira. "The inversion potential for NH3 using a DFT approach." Chemical Physics Letters 296, no. 1-2 (October 1998): 111–16. http://dx.doi.org/10.1016/s0009-2614(98)01017-3.
Повний текст джерелаZhou, Shiqi, and Andrej Jamnik. "Is perturbation DFT approach applicable to purely repulsive fluids?" Physical Chemistry Chemical Physics 8, no. 34 (2006): 4009. http://dx.doi.org/10.1039/b606401a.
Повний текст джерелаMondal, Souvik, Durga Sankar Chowdhuri, Soumen Ghosh, Ajay Misra, and Sudipta Dalai. "Conformational study on dipeptides containing phenylalanine: A DFT approach." Journal of Molecular Structure: THEOCHEM 810, no. 1-3 (May 2007): 81–89. http://dx.doi.org/10.1016/j.theochem.2007.02.006.
Повний текст джерелаKurian, Reshmi, and Michael Filatov. "DFT Approach to the Calculation of Mössbauer Isomer Shifts." Journal of Chemical Theory and Computation 4, no. 2 (January 4, 2008): 278–85. http://dx.doi.org/10.1021/ct700227s.
Повний текст джерелаIgnaczak, Anna, and JoséA N. F. Gomes. "Interaction of halide ions with copper: the DFT approach." Chemical Physics Letters 257, no. 5-6 (August 1996): 609–15. http://dx.doi.org/10.1016/0009-2614(96)00603-3.
Повний текст джерелаMomeni, M. R., and F. A. Shakib. "Stable C20−nSin heterofullerenes (n⩽8): A DFT approach." Chemical Physics Letters 492, no. 1-3 (May 2010): 137–41. http://dx.doi.org/10.1016/j.cplett.2010.04.051.
Повний текст джерелаAhmad, Rashid, Zarshad Ali, Adnan Ali Khan, and Najeeb Ur Rehman. "Terbium extraction by functionalized surface: experimental and DFT approach." Adsorption 26, no. 1 (November 19, 2019): 117–25. http://dx.doi.org/10.1007/s10450-019-00178-3.
Повний текст джерелаJawaher, Rackesh, Indirajith R, Krishnan S, Bharanidharan Bharani, Robert R, and Jerome Das S. "Theoretical investigations of ZnO/CdO material – A DFT approach." International Journal of Advanced Chemistry 6, no. 1 (March 10, 2018): 79. http://dx.doi.org/10.14419/ijac.v6i1.9312.
Повний текст джерелаZhou, Long, Guanglong Zhang, Fangyuan Xiu, Shuwei Xia, and Liangmin Yu. "The tesseract in two dimensional materials, a DFT approach." RSC Advances 10, no. 15 (2020): 8618–27. http://dx.doi.org/10.1039/c9ra10696k.
Повний текст джерелаFelcia Merlin, B., R. Amrutha, and P. Chandran. "Adsorption of S-Indacene on Silver Cluster - DFT Approach." Acta Physica Polonica A 138, no. 3 (September 2020): 447–58. http://dx.doi.org/10.12693/aphyspola.138.447.
Повний текст джерелаSundararajan, D., and M. O. Ahmad. "Index mapping approach of deriving the PM DFT algorithms." IEEE Transactions on Computers 47, no. 12 (1998): 1418–24. http://dx.doi.org/10.1109/12.737688.
Повний текст джерелаL.O Agbolade, Alaa Kamal Yousif Dafhalla, A.Wesam Al-Mufti, Z.A. Arsat, Tijjani Adam, Abdullah Chik, Subash C.B. Gopinath, M.N.A Uda, M.N. Afnan Uda, and Uda Hashim. "Revisiting the Optoelectronic Properties of Graphene: A DFT Approach." International Journal of Nanoelectronics and Materials (IJNeaM) 17, no. 1 (February 27, 2024): 76–85. http://dx.doi.org/10.58915/ijneam.v17i1.476.
Повний текст джерелаSiddique, Sabir Ali, Muhammad Arshad, Sabiha Naveed, Muhammad Yasir Mehboob, Muhammad Adnan, Riaz Hussain, Babar Ali, Muhammad Bilal Ahmed Siddique, and Xin Liu. "Efficient tuning of zinc phthalocyanine-based dyes for dye-sensitized solar cells: a detailed DFT study." RSC Advances 11, no. 44 (2021): 27570–82. http://dx.doi.org/10.1039/d1ra04529f.
Повний текст джерелаJoshi, Bhawani Datt. "STRUCTURAL, ELECTRONIC AND VIBRATIONAL STUDY OF 4, 6-DICHLORO-5-METHYLPYRIMIDINE: A DFT APPROACH." Journal of Institute of Science and Technology 22, no. 1 (July 18, 2017): 51–60. http://dx.doi.org/10.3126/jist.v22i1.17740.
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