Superior Title: Jurnal Fisika, Vol 13, Iss 2, Pp 51-58 (2023)
Subject Terms: sars-cov-2, mpro, hesperidin, density functional theory, Physics, QC1-999
File Description: electronic resource
Authors: Zahraa Al-Auda, Keith L. Hohn
Superior Title: Bulletin of Chemical Reaction Engineering & Catalysis, Vol 18, Iss 3, Pp 499-505 (2023)
Subject Terms: methane dissociation, pt(111) surface, dft, density functional theory, reforming, Chemical engineering, TP155-156
File Description: electronic resource
Authors: Nadia Aider, Baya Djebarri, Fouzia Touahra, Hatem Layeb, Djamila Halliche
Superior Title: Bulletin of Chemical Reaction Engineering & Catalysis, Vol 18, Iss 2, Pp 186-199 (2023)
Subject Terms: nio-ht, commercial nio, knoevenagel reaction, density functional theory (dft)., Chemical engineering, TP155-156
File Description: electronic resource
Authors: agus rifani, Lana Ainunnisa
Superior Title: Specta, Vol 6, Iss 3 (2023)
Subject Terms: Perovskite, Density Functional Theory, Methylammonium, Cesium, Relativistic, Engineering (General). Civil engineering (General), TA1-2040
Relation: https://journal.itk.ac.id/index.php/sjt/article/view/802; https://doaj.org/toc/2549-2713; https://doaj.org/toc/2622-9099; https://doaj.org/article/19b8e00c7cc64c91b76bfd415d60b08e
Superior Title: Makara Journal of Science, Vol 24, Iss 04, Pp 257-280 (2020)
Subject Terms: polarizability, liquid crystal, nematic, density functional theory, Science (General), Q1-390
File Description: electronic resource
Authors: Alfaruqi, Muhammad Hilmy
Superior Title: Hexagon Jurnal Teknik dan Sains ; Vol. 2 No. 1 (2021): HEXAGON - 3rd Edition; 46-51 ; Vol 2 No 1 (2021): HEXAGON - Edisi 3; 46-51 ; 2721-3188 ; 2721-3714
Subject Terms: Titanium dioxide, Density functional theory, Anatase, Brookite, Hubbard variation, Titanium dioksida, Teori fungsional kerapatan, Variasi Hubbard
File Description: application/pdf
Relation: http://jurnal.uts.ac.id/index.php/hexagon/article/view/876/611; http://jurnal.uts.ac.id/index.php/hexagon/article/view/876
Authors: Nugraha Nugraha, Adhitya Gandaryus Saputro, Mohammad Kemal Agusta, Fiki Taufik Akbar, Aditya Dimas Pramudya
Superior Title: Molekul, Vol 14, Iss 1, Pp 37-47 (2019)
Subject Terms: adsorption, benzene, toluene, ethylbenzene, xylene, density functional theory, ZnO(100) surface, Chemistry, QD1-999
File Description: electronic resource
Authors: Saprizal Hadisaputra, Niko Prasetyo
Superior Title: Makara Journal of Science, Vol 20, Iss 2, Pp 81-87 (2016)
Subject Terms: density functional theory, explosive, sensitivity, Science (General), Q1-390
File Description: electronic resource
Authors: Hari Sutrisno
Superior Title: Molekul, Vol 11, Iss 1, Pp 33-41 (2016)
Subject Terms: anatase, first-principle calculation, density-functional theory, electronic structure, band gap, Chemistry, QD1-999
File Description: electronic resource
Superior Title: Makara Journal of Science, Vol 20, Iss 1, Pp 28-32 (2016)
Subject Terms: harmonic oscillator potential, orbital-free density functional theory, quantum dot, Thomas–Fermi theory, Science (General), Q1-390
File Description: electronic resource
Superior Title: Indonesian Journal of Industrial Research
Subject Terms: Science, Indonesia, hydroxyapatite, gas sensor, density functional theory, adsorption, Technique and materials
File Description: application/pdf
Relation: https://www.neliti.com/publications/453159/study-of-the-interaction-carbondioxide-gas-with-hydroxyapatite-using-density-fun
Availability: https://www.neliti.com/publications/453159/study-of-the-interaction-carbondioxide-gas-with-hydroxyapatite-using-density-fun
Authors: Walker, B. (Benjamin)
Superior Title: Advance Sustainable Science, Engineering and Technology
Subject Terms: exchange-correlation, elecron repulsion integral, multiplet, DVME, OLCAO, density functional theory, configuration interaction, Indonesia
File Description: application/pdf
Availability: https://www.neliti.com/publications/343556/first-principles-calculation-of-laser-crystal-multiplet-levels-via-hybridized-de
Authors: KUMAR, L. (LALIT)
Superior Title: JournalNX
Subject Terms: HF, B3LYP, molecular polarizability, density functional theory, Indonesia
File Description: application/pdf
Availability: https://www.neliti.com/publications/342928/first-order-hyperpolarizability-of-5-fluoro-13-dimethyl-uracil-using-computation
Authors: Bakkialakshmi, S. (S), Shakthia, M. (M), Devi, K. B. (K)
Superior Title: International Journal of Pharmaceutics and Drug Analysis
Subject Terms: Coumarin, Density functional theory, Aliphatic amines, Mulliken atomic charges, Indonesia
File Description: application/pdf
Availability: https://www.neliti.com/publications/409372/intermolecular-change-transfer-in-a-coumarin-aliphatic-amines-system-influence-o
Authors: Imelda, I. (Imelda)
Superior Title: Lantanida Journal
Subject Terms: Dye, Solar cell, Density functional theory, Indonesia
File Description: application/pdf
Availability: https://www.neliti.com/publications/287725/penggunaan-zat-warna-organik-untuk-meningkatkan-performa-peralatan-solar-cell-me
Authors: Hamdiani, S. (Saprini), Arduha, J. (Jannatin), Purwoko, A. A. (Agus), Hadisaputra, S. (Saprizal)
Superior Title: Jurnal Pengkajian Ilmu dan Pengajaran Matemika dan Ilmu Pengetahuan Alam
Subject Terms: Indonesia, thiaamida-pirazolindol, teori fungsional kerapatan, inhibitor korosi, thiamide pyrazolindol, density functional theory, corrosion inhibitors
File Description: application/pdf
Availability: https://www.neliti.com/publications/157900/optimasi-sifat-inhibitor-korosi-senyawa-thiaamida-pirazolindol-berdasarkan-teori
Authors: Kurniawan S, Muhammad Arsyik
Superior Title: None
Subject Terms: Indonesia, ikatan dihidrogen, density functional theory, penyimpan hidrogen
File Description: application/pdf
Availability: https://www.neliti.com/publications/78905/studi-komputasi-metode-ab-initio-dft-dalam-kajian-struktural-dan-sifat-elektroni
Authors: Музика, Катерина Миколаївна
Superior Title: Eastern-European Journal of Enterprise Technologies
Subject Terms: штучний рецептор, молекулярний імпринтинг, меламін, метод теорії функціонала щільності, псевдо-імунологічна специфічність, УДК 66, искусственный рецептор, молекулярный импринтинг, меламин, метод теории функционала плотности, псевдо-иммунологическая специфичность, artificial receptor, molecular imprinting, melamine, density functional theory, pseudo-immunological specificity, Indonesia
Authors: Thắng*, H. V. (Hồ)
Superior Title: The University of Danang - Journal of Science and Technology
Subject Terms: Density Functional Theory, Li cation, FAU zeolite, CO adsorption, extra framework zeolite, Indonesia
File Description: application/pdf
Relation: https://www.neliti.com/publications/440436/understanding-co-adsorption-in-faujasite-zeolite
Availability: https://www.neliti.com/publications/440436/understanding-co-adsorption-in-faujasite-zeolite
Authors: Beri, D. (Deski)
Superior Title: Jurnal Sainstek IAIN Batusangkar
Subject Terms: Indonesia, transition state, intermediate, geometry optimation, density functional theory (DFT)
File Description: application/pdf
Availability: https://www.neliti.com/publications/130217/studi-ab-initio-mekanisme-pembentukan-transisi-reaksi-oksidasi-co-oleh-no2-di-ud