المؤلفون: Nath, Manashi, Singh, Harish, Higuchi-Roos, Taishi, Roncoroni, Fabrice, Prendergast, David

مصطلحات موضوعية: ), density functional theory (DFT, nickel telluride, photo-coupled electrochemical oxygen evolution reaction, solar hydrogen, solar water splitting

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/49w8m0zpTest

المؤلفون: Oliver Gelabert, Antoni

المساهمون: University/Department: Universitat de les Illes Balears. Departament de Física

مرشدي الرسالة: Rosselló Sanz, José Luís, Prohens López, Rafel

المصدر: TDX (Tesis Doctorals en Xarxa)

مصطلحات موضوعية: Field Programable Gate Array (FPGA), Stochastic Computing, Random Number Generator (RNG), Linear Feedback Shift Register (LFSR), Boolean Chaos, Drug Discovery, Partial Atomic Charges, Merk Molecular Force Field (MMFF), Virtual Screening (VS), Supervised Machine Learning, Parzen Windows, Bayes Theorem, Receiving Operating Characteristic (ROC), Molecular Electrostatic Potential (MEP), Surface Site Interaction Points (SSIP), Density Functional Theory (DFT), Enginyeria Electrònica

وصف الملف: application/pdf

الوصول الحر: http://hdl.handle.net/10803/462902Test

المؤلفون: Ahmad Telfah, Z. Charifi, N. latelli, Issam A. Qattan, H. Baaziz, Qais M. Al-Bataineh, A. M. Alsaad, R. F. Sabirianov

المصدر: Scientific Reports, Vol 14, Iss 1, Pp 1-14 (2024)

مصطلحات موضوعية: Density functional theory (DFT), Methane sulfonic acid ( $${\text{MSA}}$$ MSA ), Hydrated clusters, Nuclear magnetic resonance (NMR), IR vibrational bands, Raman vibrational bands, Medicine, Science

وصف الملف: electronic resource

العلاقة: https://doaj.org/toc/2045-2322Test

الوصول الحر: https://doaj.org/article/fa27186e19e04d619db6349620a69874Test

المؤلفون: Zhexuan Zhang, Yang Zhou, Ranran Cai, Runfeng Li, Shibo Li, Zhenying Huang

المصدر: Journal of Materials Research and Technology, Vol 30, Iss , Pp 295-306 (2024)

مصطلحات موضوعية: TixMo1-xC/Fe composites, Wetting kinetics, Mechanical properties, Density functional theory (DFT), Machine learning (ML), Mining engineering. Metallurgy, TN1-997

وصف الملف: electronic resource

العلاقة: http://www.sciencedirect.com/science/article/pii/S2238785424005751Test; https://doaj.org/toc/2238-7854Test

الوصول الحر: https://doaj.org/article/cdc5368bfaf9461daf9a7a51104d11d6Test

المؤلفون: Shao, Feng

المساهمون: University/Department: Universitat de Barcelona. Departament d'Electrònica

مرشدي الرسالة: Hernández Ramírez, Francisco, López, Núria (López Alonso), Cornet i Calveras, Albert

المصدر: TDX (Tesis Doctorals en Xarxa)

مصطلحات موضوعية: Electrònica, Electrónica, Electronics, Materials nanoestructurats, Materiales nanoestructurados, Nanostructured materials, Detectors, Detectores, Òxids metàl·lics, Oxidos metálicos, Metallic oxides, Teoría del funcional de la densidad (DFT), Teoria del funcional de la densitat (DFT), Density functional theory (DFT), Ciències Experimentals i Matemàtiques

وصف الملف: application/pdf

الوصول الحر: http://hdl.handle.net/10803/145058Test

المؤلفون: Roondhe, Basant, Ahuja, Rajeev, 1965, Luo, Wei

المصدر: Applied Surface Science. 667

مصطلحات موضوعية: Toxic heavy element removal, Silver doping, Two dimensional materials, Adsorption mechanism, Density functional theory (DFT)

وصف الملف: electronic

الوصول الحر: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-534100Test
https://doi.org/10.1016/j.apsusc.2024.160404Test
https://uu.diva-portal.org/smash/get/diva2:1881216/FULLTEXT01.pdfTest

المؤلفون: Kheirabadi, Sharieh Jamalzadeh, Behzadi, Fahimeh, Gity, Farzan, Hurley, Paul K., Khorrami, Soroush Karimi, Behroozi, Mohammadreza, Sanaee, Maryam, Ansari, Lida

المصدر: Journal of Physics. 36(13)

مصطلحات موضوعية: 2D materials, density functional theory (DFT), point defect, quantum transport, spintronics, transition metal dichalcogenides (TMDs), ZrSe nanoribbons 2

وصف الملف: print

الوصول الحر: https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-341926Test
https://doi.org/10.1088/1361-648X/ad13d3Test

المؤلفون: Jasmin S. Shaikh, Meena Rittiruam, Tinnakorn Saelee, Victor Márquez, Navajsharif S. Shaikh, Patcharaporn Khajondetchairit, Sumayya C. Pathan, Mohammad Khaja Nazeeruddin, Piyasan Praserthdam, Supareak Praserthdam

المصدر: South African Journal of Chemical Engineering, Vol 48, Iss , Pp 306-316 (2024)

مصطلحات موضوعية: Density functional theory (DFT), Relative hydrogen electrode (RHE), Water splitting, Water oxidation, Chemical engineering, TP155-156

وصف الملف: electronic resource

العلاقة: http://www.sciencedirect.com/science/article/pii/S1026918524000337Test; https://doaj.org/toc/1026-9185Test

الوصول الحر: https://doaj.org/article/571a7b960e724d27bbb6501c58ff9a62Test

المؤلفون: Moses Wabwile Juma, Zephania Birech, Nancy Mwikali Mwenze, Annah Moraa Ondieki, Malik Maaza, Simon Dhlamini Mokhotjwa

المصدر: Scientific Reports, Vol 14, Iss 1, Pp 1-13 (2024)

مصطلحات موضوعية: Trenbolone acetate, Doping, Localized surface plasmon resonance (LSPR), Density functional theory (DFT), Medicine, Science

وصف الملف: electronic resource

العلاقة: https://doaj.org/toc/2045-2322Test

الوصول الحر: https://doaj.org/article/3f6a143b560b41a0baa3851b4ec43b56Test

المؤلفون: Sabina Yasmin, Md Golam Azam, Md Sanwar Hossain, Umme Sarmeen Akhtar, Md Humayun Kabir

المصدر: Heliyon, Vol 10, Iss 12, Pp e33317- (2024)

مصطلحات موضوعية: Zn-C battery, Graphene oxide, Density functional theory (DFT), Ciprofloxacin, Adsorption, Kinetics, Science (General), Q1-390, Social sciences (General), H1-99

وصف الملف: electronic resource

العلاقة: http://www.sciencedirect.com/science/article/pii/S2405844024093484Test; https://doaj.org/toc/2405-8440Test

الوصول الحر: https://doaj.org/article/8239f7eb21484cd8aa848741a236fa7fTest