-
1Academic Journal
المؤلفون: Kento Abeywardane, C. Franklin Goldsmith
مصطلحات موضوعية: Biochemistry, Evolutionary Biology, Ecology, Cancer, Inorganic Chemistry, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, poly fluoroalkyl substances, many chemical systems, including perfluorooctanoic acid, homodesmotic reactions proposed, combining different levels, active thermochemical tables, generalized thermochemical hierarchy, genx ), coupled, first reported enthalpies, based hierarchy, subchemical accuracy, source code, reference data, provides enthalpies, new open, local correlations, large number, hierarchical manner, explicit correlations, determined automatically
-
2Academic Journal
المؤلفون: Kento Abeywardane, C. Franklin Goldsmith
مصطلحات موضوعية: Biochemistry, Evolutionary Biology, Ecology, Cancer, Inorganic Chemistry, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, poly fluoroalkyl substances, many chemical systems, including perfluorooctanoic acid, homodesmotic reactions proposed, combining different levels, active thermochemical tables, generalized thermochemical hierarchy, genx ), coupled, first reported enthalpies, based hierarchy, subchemical accuracy, source code, reference data, provides enthalpies, new open, local correlations, large number, hierarchical manner, explicit correlations, determined automatically
-
3Academic Journal
المؤلفون: Nattamon Worrarat, Supacha Buttranon, Pangrum Punthong, Suppalak Phaisan, Apisit Naramittanakul, Duangthip Trisrivirat, Thanyaporn Wongnate, Pimchai Chaiyen, Nopphon Weeranoppanant
مصطلحات موضوعية: Biophysics, Biochemistry, Microbiology, Genetics, Biotechnology, Chemical Sciences not elsewhere classified, overall production increased, many chemical products, facilitate enzyme reuse, enabling efficient diffusion, je , convert fatty acids, using free enzymes, 2 , fatty acids, free enzymes, two enzymes, coimmobilized enzymes, relative activity, new approach, important precursors, ethyl acetate, cytochrome p450, conventional condition, close proximity, cascade reaction, biocatalytic reaction, biobased feedstocks
-
4Academic Journal
مصطلحات موضوعية: Biophysics, Biochemistry, 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, thereby dramatically increasing, large activation barriers, free energy surfaces, free energy calculation, 2d cof stacking, specific umbrella parameter, optimal grid refinement, underpin many physical, work introduces ogre, umbrella sampling, optimal collection, many developments, many chemical, typically lacking, three metrics, systematically determine, systematic construction, shallow minima, several tools, python package, proton hopping, particularly suited, often complicated
-
5Academic Journal
المؤلفون: Kaveh Farshadfar, Arsalan Hashemi, Reza Khakpour, Kari Laasonen
مصطلحات موضوعية: Biophysics, Biochemistry, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, lower energy barrier, activation energy required, many chemical transformations, carbene transfer reactions, vacant p orbital, combined machine learning, 2 , carbene lone pair, negative n charge, negative charge, machine learning, lone pair, chemical features, carbene precursors, carbene generation, carbene formation, carbene carbon, weak interaction, terminal nitrogen, synthetic chemistry, substituents located, results suggest, molecular engineering, highly dependent, functionalization procedures
-
6Academic Journal
المؤلفون: Moritz Bensberg (8862209), Paul L. Türtscher (11910423), Jan P. Unsleber (11910426), Markus Reiher (1282191), Johannes Neugebauer (1284294)
مصطلحات موضوعية: Biophysics, Biochemistry, Physiology, Sociology, Plant Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, stationary point sampling, many chemical processes, investigate molecular dynamics, continuum solvation schemes, accurately reproduced compared, consistent subsystem decomposition, predicted solvent effect, solvation free energies, solute – solvent, free energies, subsystem dft, reaction energies, solvent effects, solvent configurations, vitally important, theoretical methods, increasing numbers, hybrid ansatz, experimental data, different solvents, different solutes, accurate description
-
7Academic Journal
مصطلحات موضوعية: Biophysics, Biochemistry, Ecology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, σ ‑ donation, total interaction energies, state natural orbitals, provide vital insights, elucidate substantial differences, many chemical processes, frontier molecular orbitals, molecular geometries, chemical valence, nocv ), new classification, neda ), methods revealed, group elements, different types, dative interactions, dative bonds, dative bonding, data set, computational study, benchmark study, acceptor molecules
-
8Academic Journal
المؤلفون: Xiangyu Jie (8476380), Jiale Wang (1526317), Sergio Gonzalez-Cortes (11503027), Benzhen Yao (9045780), Weisong Li (1409671), Yige Gao (6373130), Jonathan R. Dilworth (339551), Tiancun Xiao (2496496), Peter P. Edwards (1994206)
مصطلحات موضوعية: Biochemistry, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, pervasive carbonaceous deposits, many chemical processes, carbon residues produced, active carbon species, catalytically inert carbons, initiated deep dehydrogenation, hexadecane carbon materials, carbon materials, various carbons, initiated dehydrogenation, activated carbons, widely used, ultimately deactivated, subsequently transformed, sic catalyst, property raises, operating catalyst, intriguing possibility, hot spot, highly effective, graphene nanoplatelets, early stage, catalytic performance, catalytic activity, catalytic activities
-
9Academic Journal
المؤلفون: Haiqin Li (11682205), Xiaoyuan Wang (492534), Xiaochun Li (143491), Hua-Zhong Yu (1673893)
مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Physiology, Biotechnology, Space Science, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, surface light source, printed optical accessory, macro lens ), commercial test strips, standard ph meter, ph test strips, conventional ph meters, 05 ph units, namely “ smart, environmental monitoring processes, ), dominant wavelength analysis, environmental monitoring, dominant wavelength, ph values, complementary wavelength, world samples, many chemical, glass electrodes, color image, captured images, accurate tool
-
10Academic Journal
المؤلفون: Alexandre C. Foucher (11708669), Nicholas Marcella (4471846), Jennifer D. Lee (4491025), Daniel J. Rosen (11708672), Ryan Tappero (4028207), Christopher B. Murray (1234398), Anatoly I. Frenkel (1391488), Eric A. Stach (1269663)
مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, ray absorption spectroscopy, many chemical reactions, major chemical processes, impact catalytic properties, dynamical restructuring effects, also enhancing stability, 500 ° c, 300 ° c, valence state modification, different valence state, 3 , 2 , redox conditions platinum, situ <, oxidation state, redox cycling, redox cycle, substantial changes, segregated material, reduce cost, primary catalyst, often combined, nanoparticles supported, multimodal microreactor, irreversible segregation
-
11Academic Journal
المؤلفون: Minji Kim (1722313), Kue-Young Kim (11819401), Jae-Hong Lim (431103), Chan Yeong Kim (9992075), Seob-Gu Kim (11819404), Gidon Han (11819407), Weon Shik Han (11819410), Eungyu Park (11819413)
مصطلحات موضوعية: Biophysics, Ecology, Sociology, Inorganic Chemistry, Computational Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, level could lead, lapse synchrotron x, geological heterogeneity effect, facilitate mass transfer, environmental engineering processes, effective environmental remediation, comprised coarse sand, coarse zone broke, dynamic immiscible displacement, spanning multiple pores, many small fragments, level using time, fine sand zones, immiscible fluid displacement, layered porous media, multiphase fluid dynamics, immiscible fluid, porous media, two zones, many chemical, individual pores
-
12
المؤلفون: Kento Abeywardane, C. Franklin Goldsmith
مصطلحات موضوعية: Biochemistry, Evolutionary Biology, Ecology, Cancer, Inorganic Chemistry, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, poly fluoroalkyl substances, many chemical systems, including perfluorooctanoic acid, homodesmotic reactions proposed, combining different levels, active thermochemical tables, generalized thermochemical hierarchy, genx ), coupled, first reported enthalpies, based hierarchy, subchemical accuracy, source code, reference data, provides enthalpies, new open, local correlations, large number, hierarchical manner, explicit correlations, determined automatically
-
13
المؤلفون: Kento Abeywardane, C. Franklin Goldsmith
مصطلحات موضوعية: Biochemistry, Evolutionary Biology, Ecology, Cancer, Inorganic Chemistry, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, poly fluoroalkyl substances, many chemical systems, including perfluorooctanoic acid, homodesmotic reactions proposed, combining different levels, active thermochemical tables, generalized thermochemical hierarchy, genx ), coupled, first reported enthalpies, based hierarchy, subchemical accuracy, source code, reference data, provides enthalpies, new open, local correlations, large number, hierarchical manner, explicit correlations, determined automatically
-
14
مصطلحات موضوعية: Biophysics, Biochemistry, Ecology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, σ ‑ donation, total interaction energies, state natural orbitals, provide vital insights, elucidate substantial differences, many chemical processes, frontier molecular orbitals, molecular geometries, chemical valence, nocv ), new classification, neda ), methods revealed, group elements, different types, dative interactions, dative bonds, dative bonding, data set, computational study, benchmark study, acceptor molecules
-
15Academic Journal
المؤلفون: Qing Lu, Wensheng Bian
مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Microbiology, Evolutionary Biology, Mental Health, Virology, Chemical Sciences not elsewhere classified, shows excellent agreement, >- azobenzenes increases, many chemical processes, effective interaction ranges, common functional groups, alkyl chain length, >- alkyl chain, dispersion interactions along, dispersion interactions, dispersion interaction, chemical reactivity, interacting groups, butyl groups, alkyl chains, well understood, well recognized, steady value, satisfactory accordance, n <, increasing separation, experimental measurements, experimental findings
-
16Academic Journal
المؤلفون: Jonathan W. Zheng, William H. Green
مصطلحات موضوعية: Biophysics, Biochemistry, Mental Health, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, many chemical systems, hydration free energies, calculating solvation energies, singly charged ions, rs modeling errors, predicted using cosmo, one major obstacle, fairly assess performance, 7 kcal mol, 2 times larger, 1 kcal mol, filtered test set, challenging test set, solvation energies, test sets, solvated ions, results underscore, results indicate, relative error, one across, ionization site, ionic solutes, functional group, experimental compilation
-
17Academic Journal
مصطلحات موضوعية: Biophysics, Medicine, Ecology, Infectious Diseases, Computational Biology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, achieving optimal production, 6 hz ), wider frequency distribution, mass flow rate, loop pressure balance, applying mesoscale drag, loop simulation captures, riser simulation predicts, loop simulation, mesoscale structures, loop simulations, flow characteristics, dominating frequency, two kinds, study realizes, solid concentration, particle conveying, minimization multiscale, many chemical, dynamic behavior
-
18Academic Journal
مصطلحات موضوعية: Biophysics, Medicine, Ecology, Infectious Diseases, Computational Biology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, achieving optimal production, 6 hz ), wider frequency distribution, mass flow rate, loop pressure balance, applying mesoscale drag, loop simulation captures, riser simulation predicts, loop simulation, mesoscale structures, loop simulations, flow characteristics, dominating frequency, two kinds, study realizes, solid concentration, particle conveying, minimization multiscale, many chemical, dynamic behavior
-
19Academic Journal
مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Pharmacology, Sociology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, understanding many chemical, new fluorophore frameworks, maximum oscillator strength, desired electronic properties, corresponding absorption wavelength, absorption wavelength close, high oscillator strength, high quantum yields, finding novel molecules, quantum yields, machine learning, global optimization, emission spectrum, diverse colors, discover novel, core step, closely related, biological studies, 600 nm
-
20Academic Journal
المؤلفون: Shu-Cong Fan (11731006), Yun-Tong Li (9093182), Ying Wang (11406), Jia-Wen Wang (11731009), Ying-Ying Xue (6391223), Hai-Peng Li (233458), Shu-Ni Li (825793), Quan-Guo Zhai (825794)
مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, many chemical synthesis, ideal mof adsorbents, functionalized tricarboxylate linkers, connected new architectures, lewis basic sites, open metal sites, stronger adsorption sites, 37 ( fe, 3 , 4 , 2 , stable 3, open fe, gas adsorption, adsorption amounts, sc sites, widely used, variable structure, separation due, separation ability, purification performance, much higher, great importance, gcmc simulations