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1دورية أكاديمية
المؤلفون: Gürol Yıldırım
المصدر: Water Supply, Vol 23, Iss 12, Pp 4817-4839 (2023)
مصطلحات موضوعية: energy-gradient line manifolds, inlet pressure, operating pressure, pressure profiles, water distribution network, Water supply for domestic and industrial purposes, TD201-500, River, lake, and water-supply engineering (General), TC401-506
وصف الملف: electronic resource
العلاقة: http://ws.iwaponline.com/content/23/12/4817Test; https://doaj.org/toc/1606-9749Test; https://doaj.org/toc/1607-0798Test
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2دورية أكاديمية
المؤلفون: Jiace Sun, Lixue Cheng, Weitang Li
مصطلحات موضوعية: Genetics, Biotechnology, Plant Biology, Computational Biology, Space Science, 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, variational quantum eigensolver, term quantum devices, shallow quantum circuits, quantum computational chemistry, initial energy gradient, imposes negligible overhead, toward chemical accuracy, achieving chemical accuracy, quantum hardware emulator, based hamiltonian transformation, significant challenge, qubit gates, promising avenue, method designs, efficient ansatz, effectively maximizes, classical processing, circuit topology, circuit parameters, circuit depth
الإتاحة: https://doi.org/10.1021/acs.jctc.3c00886.s001Test
https://figshare.com/articles/journal_contribution/Toward_Chemical_Accuracy_with_Shallow_Quantum_Circuits_A_Clifford-Based_Hamiltonian_Engineering_Approach/24936861Test -
3دورية أكاديمية
المصدر: Falcioni , F , Bennett , S , Stroer-Jarvis , P & Popelier , P L A 2024 , ' Probing Non-Covalent Interactions through Molecular Balances: A REG-IQA Study ' , Molecules , vol. 29 , no. 5 , 1043 . https://doi.org/10.3390/molecules29051043Test
مصطلحات موضوعية: Relative Energy Gradient (REG), molecular balances, quantum chemical topology (QCT), QTAIM, IQA, DFT, conformational analysis
الإتاحة: https://doi.org/10.3390/molecules29051043Test
https://research.manchester.ac.uk/en/publications/59efa43f-9f24-40f5-8891-aa4e695e1a65Test -
4دورية أكاديمية
المصدر: Molecules, Vol 29, Iss 5, p 1043 (2024)
مصطلحات موضوعية: Relative Energy Gradient (REG), molecular balances, quantum chemical topology (QCT), QTAIM, IQA, DFT, Organic chemistry, QD241-441
وصف الملف: electronic resource
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5دورية أكاديمية
المؤلفون: ZhongTing Zhang, ZhouYu Fang, HengAn Wu, YinBo Zhu
مصطلحات موضوعية: Biophysics, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, recent experiments extend, reaction path along, free energy surface, free energy gradient, corresponding local minima, atomically disordered diamonds, range order realized, formed inherently different, dependent paracrystalline nucleation, tetrahedral amorphous carbons, real experimental temperatures, amorphous carbons, paracrystalline diamond, narrow range, different temperatures, using metadynamics, shed light, related methods, performed atomistic, inappropriate temperatures, easily hindered, current understanding, based simulations, atomic disorder, arrhenius framework
الإتاحة: https://doi.org/10.1021/acs.nanolett.3c04037.s001Test
https://figshare.com/articles/journal_contribution/Temperature-Dependent_Paracrystalline_Nucleation_in_Atomically_Disordered_Diamonds/24898022Test -
6دورية أكاديمية
المؤلفون: CADOR, Aël, Tognetti, Vincent, JOUBERT, Laurent, Popelier, Paul
المصدر: CADOR , A , Tognetti , V , JOUBERT , L & Popelier , P 2023 , ' Aza-Michael Addition in Explicit Solvent: A Relative Energy Gradient – Interacting Quantum Atoms Study ' , ChemPhysChem , vol. 24 , no. 24 , e202300529 . https://doi.org/10.1002/cphc.202300529Test
مصطلحات موضوعية: Interacting quantum atoms (IQA), Mayr’s electrophilicity, Michael addition, Quantum theory of atoms-in-molecules (QTAIM), Relative Energy Gradient (REG)
الإتاحة: https://doi.org/10.1002/cphc.202300529Test
https://research.manchester.ac.uk/en/publications/cb866ab7-47f2-45e9-8a15-2d0ac0775bcaTest -
7رسالة جامعية
المؤلفون: Thacker, Joseph
المساهمون: Popelier, Paul, Mcdouall, Joseph
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8دورية أكاديمية
المؤلفون: Yushun Yang, Sijiang Wei, Kui Li
المصدر: Energy Science & Engineering, Vol 9, Iss 12, Pp 2298-2310 (2021)
مصطلحات موضوعية: dynamic failure characteristics, energy gradient criterion, inversion analysis, rock burst, Technology, Science
وصف الملف: electronic resource
العلاقة: https://doaj.org/toc/2050-0505Test
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9دورية أكاديمية
المؤلفون: Satish Kumar Dewangan
المصدر: SN Applied Sciences, Vol 3, Iss 4, Pp 1-15 (2021)
مصطلحات موضوعية: Flow transition, Flow instability, Annular flow, Energy gradient method (EGM), Science, Technology
وصف الملف: electronic resource
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10دورية أكاديمية
المؤلفون: Danish Khan (Faculty of Physics, University of Vienna), Leonardo J. Duarte (Institute of Chemistry, State University of Campinas), Paul L. A. Popelier (Department of Chemistry, The University of Manchester)
المصدر: Molecules ; issn:1420-3049
مصطلحات موضوعية: Relative Energy Gradient (REG), Interacting Quantum Atoms (IQA), Quantum Theory of Atoms in Molecules (QTAIM), anomeric effect, dimethoxymethane, 2-fluorotetrahydropyran
وصف الملف: application/pdf
العلاقة: hdl:11353/10.1670878; https://phaidra.univie.ac.at/o:1670878Test