-
1
المؤلفون: Shanggou Liu, Shiping Huang, Xiangyu Guo, Yan Sun
المصدر: Computational and Theoretical Chemistry. 1154:11-16
مصطلحات موضوعية: 010304 chemical physics, Magnetic moment, Magnetism, Chemistry, Nanoparticle, Charge (physics), 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Biochemistry, Molecular physics, 0104 chemical sciences, Artificial bee colony algorithm, 0103 physical sciences, Atom, Physics::Atomic and Molecular Clusters, Density functional theory, Physical and Theoretical Chemistry, Electronic properties
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::f149d4e4d2a1fa20c0696f75e13ac10cTest
https://doi.org/10.1016/j.comptc.2019.03.008Test -
2
المؤلفون: Zhe Fu, Wei Song, Tao Kuang, Wei Zhang, Peng-fei Ma, Jin-long Wang
المصدر: Computational and Theoretical Chemistry. 1152:32-40
مصطلحات موضوعية: Ionic clusters, 010304 chemical physics, Magnetic moment, Chemistry, Doping, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Biochemistry, 0104 chemical sciences, Crystallography, 0103 physical sciences, Atom, Cluster size, Density functional theory, Physical and Theoretical Chemistry, Electronic properties
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::43909310d533752c6417bc601587c928Test
https://doi.org/10.1016/j.comptc.2019.01.024Test -
3
المؤلفون: G. Balaji, S. Muthu, P. Prabakaran, M. Thirunavukkarasu, Ahmad Irfan, S. Sakthivel
المصدر: Computational and Theoretical Chemistry. 1208:113534
مصطلحات موضوعية: chemistry.chemical_compound, gamma-Butyrolactone, Chemistry, Computational chemistry, Structure (category theory), Aqueous two-phase system, Solvation, Physical and Theoretical Chemistry, Condensed Matter Physics, Biochemistry, Stability (probability), Quantum, Electronic properties
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::a4457b151f899459ccce1cf45ee32d34Test
https://doi.org/10.1016/j.comptc.2021.113534Test -
4
المؤلفون: Naruwan Pattarapongdilok, Vudhichai Parasuk
المصدر: Computational and Theoretical Chemistry. 1140:86-97
مصطلحات موضوعية: Condensed matter physics, Chemistry, Graphene, Band gap, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Biochemistry, 0104 chemical sciences, law.invention, Folding (chemistry), Quantum dot, law, Density functional theory, Physical and Theoretical Chemistry, Deformation (engineering), 0210 nano-technology, HOMO/LUMO, Electronic properties
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::2bdcfe0aa1e6c5a8614f1c378267843cTest
https://doi.org/10.1016/j.comptc.2018.08.002Test -
5
المؤلفون: Thillai Govindaraja Senthamaraikannan, Jeong An Kwon, Chang-Mi Lee, Dong Yun Shin, Dong-Hee Lim
المصدر: Computational and Theoretical Chemistry. 1201:113277
مصطلحات موضوعية: Standard hydrogen electrode, Chemistry, Atom, Polymer chemistry, chemistry.chemical_element, Graphite, Physical and Theoretical Chemistry, Condensed Matter Physics, Electrochemistry, Biochemistry, Copper, Electronic properties, Catalysis
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::a7de0879161b798c088289f61010dec4Test
https://doi.org/10.1016/j.comptc.2021.113277Test -
6
المؤلفون: Ravi Kumar, Neetu Goel, Mohd Riyaz, Shuchi Gupta
المصدر: Computational and Theoretical Chemistry. 1200:113195
مصطلحات موضوعية: 010304 chemical physics, Dopant, Condensed matter physics, Strain (chemistry), Doping, Nitrogen doping, chemistry.chemical_element, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Biochemistry, 0104 chemical sciences, chemistry.chemical_compound, chemistry, 0103 physical sciences, Axial strain, Graphane, Physical and Theoretical Chemistry, Boron, Electronic properties
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::0a5358cc33765f342ac08501ee136ff8Test
https://doi.org/10.1016/j.comptc.2021.113195Test -
7
المؤلفون: Rongjian Sa, Huan Peng, Diwen Liu
المصدر: Computational and Theoretical Chemistry. 1200:113251
مصطلحات موضوعية: 010304 chemical physics, Band gap, business.industry, Chemistry, Halide, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Biochemistry, Stability (probability), 0104 chemical sciences, Semiconductor, Lattice constant, Chemical physics, Structural stability, 0103 physical sciences, Direct and indirect band gaps, Physical and Theoretical Chemistry, business, Electronic properties
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::f746b84efbf7c7253187f730f08b50d7Test
https://doi.org/10.1016/j.comptc.2021.113251Test -
8
المؤلفون: Sergey S. Kiselev, Yurii A. Borisov
المصدر: Computational and Theoretical Chemistry. 1197:113141
مصطلحات موضوعية: 010304 chemical physics, Chemistry, Enthalpy, Supramolecular chemistry, Protonation, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Biochemistry, 0104 chemical sciences, Ion, Gibbs free energy, symbols.namesake, Computational chemistry, 0103 physical sciences, symbols, Molecule, Physical and Theoretical Chemistry, van der Waals force, Electronic properties
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::9fa261b4058dbe3f3fadeb27b25275f9Test
https://doi.org/10.1016/j.comptc.2020.113141Test -
9
المؤلفون: Luciana Guimarães, Camilla Fonseca Silva, Wagner B. De Almeida, Clebio S. Nascimento, Paulo Henrique S. Paulino
المصدر: Computational and Theoretical Chemistry. 1197:113157
مصطلحات موضوعية: chemistry.chemical_classification, 010304 chemical physics, Cyclodextrin, Chemistry, engineering.material, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Biochemistry, Oligomer, 0104 chemical sciences, Molecular wire, chemistry.chemical_compound, Dipole, Coating, 0103 physical sciences, engineering, Physical chemistry, Density functional theory, Physical and Theoretical Chemistry, Electrical conductor, Electronic properties
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::e92eabd5481e4e2b8daf67e82e3d88f1Test
https://doi.org/10.1016/j.comptc.2021.113157Test -
10
المؤلفون: Zhiqiang Zhao, Qun Wei, Minhua Xue, Fuping Wu, Ruike Yang
المصدر: Computational and Theoretical Chemistry. 1196:113113
مصطلحات موضوعية: 010304 chemical physics, Chemistry, Isotropy, Thermodynamics, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Biochemistry, 0104 chemical sciences, symbols.namesake, 0103 physical sciences, symbols, Density functional theory, Physical and Theoretical Chemistry, Debye model, Electronic properties, Debye
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::16beea8dd9f35c1b4fdea87838dc1457Test
https://doi.org/10.1016/j.comptc.2020.113113Test