-
1دورية أكاديمية
المؤلفون: Alexandra L. Nagelski, Mykhaylo Ozerov, Majed S. Fataftah, J. Krzystek, Samuel M. Greer, Patrick L. Holland, Joshua Telser
مصطلحات موضوعية: Biophysics, Biochemistry, Microbiology, Cell Biology, Cancer, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, diketiminate supporting group, − 49 cm, nearly axial zfs, ii sup, cocl b, 55 cm, tert <, theoretical methods, sup ><, structurally characterized, previously reported, previously characterized, indirect assessment, field splitting, experimental spectra, epr spectroscopy, electronic structures, electronic structure, conventional field, >- butyl
الإتاحة: https://doi.org/10.1021/acs.inorgchem.3c03388.s001Test
https://figshare.com/articles/journal_contribution/Electronic_Structure_of_Three-Coordinate_Fe_sup_II_sup_and_Co_sup_II_sup_Diketiminate_Complexes/25293222Test -
2دورية أكاديمية
المؤلفون: Son Gyo Jung, Guwon Jung, Jacqueline M. Cole
مصطلحات موضوعية: Biophysics, Biochemistry, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, established physical relevance, ab initio <, specific optical characteristics, machine learning methods, learnt representations via, accurate predictions via, multifidelity modeling approach, max sub, substantial computational cost, although theoretical methods, 893 dft calculations, smiles representations, popular methods, driven methods, computational physics, accurate prediction, solar cells, scientific literature, results demonstrate, optical properties, integrating 34
الإتاحة: https://doi.org/10.1021/acs.jcim.3c01792.s001Test
https://figshare.com/articles/journal_contribution/Automatic_Prediction_of_Peak_Optical_Absorption_Wavelengths_in_Molecules_Using_Convolutional_Neural_Networks/25320696Test -
3دورية أكاديمية
المؤلفون: Feryel Soualmia, Mickael V. Cherrier, Timothée Chauviré, Mickaël Mauger, Philip Tatham, Alain Guillot, Xavier Guinchard, Lydie Martin, Patricia Amara, Jean-Marie Mouesca, Meriem Daghmoum, Alhosna Benjdia, Serge Gambarelli, Olivier Berteau, Yvain Nicolet
مصطلحات موضوعية: Biochemistry, Developmental Biology, Cancer, Chemical Sciences not elsewhere classified, using catalytic amounts, unexpected shunt product, protein highly resembles, 5 ′- thioadenosine, radical sam tyrosine, 4 sub, ‑ ornithine pylb, pylb catalyzes, pylb activates, vitro <, tryptophan lyases, theoretical methods, reverse reaction, r <, nitrogen position, methyl ‑, identified significant, h atom, enzyme predicted, cγ position, based β, analytical methods, also showed, >- adenosyl
الإتاحة: https://doi.org/10.1021/jacs.3c03747.s001Test
https://figshare.com/articles/journal_contribution/Radical_i_S_i_Adenosyl_l_Methionine_Enzyme_PylB_A_C_Centered_Radical_to_Convert_l_Lysine_into_3_i_R_i_3-Methyl_d_Ornithine/25325160Test -
4دورية أكاديمية
المؤلفون: Pablo G. Garay, Matias R. Machado, Hugo Verli, Sergio Pantano
مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Molecular Biology, Biotechnology, Cancer, Plant Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, vast variability associated, remain largely uncharacterized, many combination possibilities, large size associated, including antibody recognition, common glycosylation motifs, biologically relevant glycoconjugates, although theoretical methods, representations extremely challenging, fully atomistic description, cg representation able, cg force fields, sirah late harvest, cg molecules provided, glycan representations, biological molecules, wide variety, valid alternative, intrinsic flexibility, hydrogen bonds, high complexity
الإتاحة: https://doi.org/10.1021/acs.jctc.3c00783.s001Test
https://figshare.com/articles/journal_contribution/SIRAH_Late_Harvest_Coarse-Grained_Models_for_Protein_Glycosylation/24943761Test -
5دورية أكاديمية
مصطلحات موضوعية: Biophysics, Biochemistry, Physiology, Evolutionary Biology, Ecology, Science Policy, Physical Sciences not elsewhere classified, simple cavity setups, induced structural changes, combining macroscopic qed, absorbing spherical cavity, ab initio <, quantum electrodynamical density, cavity coupling strengths, drawn significant attention, general electromagnetic environments, emerging field draws, different aromatic molecules, electromagnetic environments, strong coupling, quantum optics, emerging field, different parameters, using oversimplified, use tool, unphysical predictions, theoretical methods, recent years, quantitatively describe, oversimplified descriptions
الإتاحة: https://doi.org/10.1021/acs.jctc.3c00967.s001Test
https://figshare.com/articles/journal_contribution/_i_Ab_Initio_i_Calculations_of_Quantum_Light_Matter_Interactions_in_General_Electromagnetic_Environments/24961552Test -
6دورية أكاديمية
المؤلفون: Yao-Xiao Zhao, Yu-Long Li, Wei-Xing Chen, Xi-Lang Jin
مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Biotechnology, Space Science, Environmental Sciences not elsewhere classified, highly active area, simultaneous rapid detection, pose potential environmental, fluorescence testing revealed, efficient fluorescent probes, cof using 2, highly stable two, 2 + sup, enhanced adsorption capacity, cof toward cu, specific detection, improving environmental, fluorescent probe, fluorescence mechanism, adsorption capacity, cof upon, theoretical methods, temporal stability, successfully synthesized, significant challenge, removing cu, raw materials, high sensitivity, health risks
الإتاحة: https://doi.org/10.1021/acs.inorgchem.3c03500.s001Test
https://figshare.com/articles/journal_contribution/Regenerable_and_Highly_Stable_Two-Dimensional_Imine-Based_Covalent_Organic_Framework_for_Simultaneous_Rapid_Detection_and_Adsorption_of_Cu_sup_2_sup_Ions/25028400Test -
7دورية أكاديمية
المؤلفون: A. I. Burkov, A. L. Glushkov, V. A. Lazykin, V. Yu. Mokiev
المصدر: Аграрная наука Евро-Северо-Востока, Vol 23, Iss 3, Pp 402-410 (2022)
مصطلحات موضوعية: seeds, fractionation, pneumatic separator, computer modelling, experimental and theoretical methods, Agriculture
وصف الملف: electronic resource
العلاقة: https://www.agronauka-sv.ru/jour/article/view/1053Test; https://doaj.org/toc/2072-9081Test; https://doaj.org/toc/2500-1396Test
-
8دورية أكاديمية
المؤلفون: Shouxi WANG, Chuanzhong DENG, Chuansheng CHEN, Wei LI, Jun LI, Xiang GAO
المصدر: You-qi chuyun, Vol 41, Iss 3, Pp 241-255 (2022)
مصطلحات موضوعية: natural gas pipeline networks, online simulation, theoretical methods, model, software, practices, Oils, fats, and waxes, TP670-699, Gas industry, TP751-762
وصف الملف: electronic resource
العلاقة: https://doaj.org/toc/1000-8241Test
-
9دورية أكاديمية
المؤلفون: Boaz Galdino de Oliveira
المصدر: Semina: Ciências Exatas e Tecnológicas, Vol 43, Iss 2 (2023)
مصطلحات موضوعية: intermolecular interactions, periodic table, theoretical methods, non-bonded, Technology (General), T1-995, Science (General), Q1-390
وصف الملف: electronic resource
العلاقة: https://ojs.uel.br/revistas/uel/index.php/semexatas/article/view/46567Test; https://doaj.org/toc/1676-5451Test; https://doaj.org/toc/1679-0375Test
-
10دورية أكاديمية
المؤلفون: Jihong Ma
المصدر: Small Science, Vol 3, Iss 1, Pp n/a-n/a (2023)
مصطلحات موضوعية: acoustic metamaterials, micro- and nanoscales, numerical simulations, phononic crystals, phonons, theoretical methods, Materials of engineering and construction. Mechanics of materials, TA401-492
وصف الملف: electronic resource
العلاقة: https://doaj.org/toc/2688-4046Test