المؤلفون: Liya Lu, Pan Jiang, Hong Gao

المصدر: Fundamental Research, Vol 5, Iss 1, Pp 151-157 (2025)

مصطلحات موضوعية: N2, Bond dissociation energy, Photodissociation, Vacuum ultraviolet, Velocity-mapped imaging, Science (General), Q1-390

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2667325822003430; https://doaj.org/toc/2667-3258

URL الوصول: https://doaj.org/article/d582d60097a245048848440558bf82c0

المؤلفون: Compton, Robert N., author, Duncan, Michael A., author

المصدر: Laser Experiments for Chemistry and Physics, Second Edition, 2024, ill.

الاتاحة: https://doi.org/10.1093/oso/9780198900825.003.0001

المؤلفون: Max Völker, Matthias Schreyer, Peter Burger

المصدر: Chemistry, Vol 6, Iss 5, Pp 1230-1245 (2024)

مصطلحات موضوعية: metal-OR and metal-SR ligand hydrogenation, hydrogenation mechanism, metal-ligand dπ,pπ-interaction, Ir-O,S bond dissociation enthalpies, DFT, P/LNO-CCSD(T) calculations, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2624-8549/6/5/71; https://doaj.org/toc/2624-8549

URL الوصول: https://doaj.org/article/84b92e0c1ac049a4a09282c830d1ab58

المؤلفون: Nikolaos Nenadis, Maria Z. Tsimidou

المصدر: Exploration of Foods and Foodomics, Vol 2, Iss 4, Pp 326-338 (2024)

مصطلحات موضوعية: antioxidant activity assessment, phenols, dft, b3lyp, bond dissociation enthalpy, gas-phase, radical scavenging, hydroxytyrosol, Food processing and manufacture, TP368-456, Nutrition. Foods and food supply, TX341-641

وصف الملف: electronic resource

Relation: https://www.explorationpub.com/Journals/eff/Article/101040; https://doaj.org/toc/2837-9020

URL الوصول: https://doaj.org/article/376c4df83dfe46c0bb9361bbf91e0d5e

المؤلفون: Han Li, Ke Zhang, Wei Chen, Yuxuan Zhou, Jun Li, Yunfang Zhao, Yuelin Song

المصدر: Chinese Medicine, Vol 19, Iss 1, Pp 1-13 (2024)

مصطلحات موضوعية: Salvianolic acid A, Metabolites, Ester bond dissociation, Post collision-induced dissociation energy-resolved mass spectrometry, Other systems of medicine, RZ201-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1749-8546

URL الوصول: https://doaj.org/article/d94740f76ca242ce9d56f528d3b6e937

المؤلفون: Dalal K. Thbayh, Dóra Mentes, Zsanett R. Boros, Marcin Palusiak, László Farkas, Béla Viskolcz, Béla Fiser

المصدر: Molecules, Vol 29, Iss 24, p 6037 (2024)

مصطلحات موضوعية: DFT, bond dissociation enthalpy, HAT, ionization potential, vitamin E, FPUF, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/29/24/6037; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/bc15c5c43a044d0fa28a5bac8b22b14a

المؤلفون: Paweł Lipkowski, Wojciech Bartkowiak

المصدر: Molecules, Vol 30, Iss 1, p 9 (2024)

مصطلحات موضوعية: spatial confinement, (hyper)polarizability, hydrogen molecule, bond dissociation, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/30/1/9; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/f07df38553764bea949a7dfbf4a19c24

المؤلفون: Vaneet Saini, Ramesh Kataria, Shruti Rajput

المصدر: Artificial Intelligence Chemistry, Vol 2, Iss 1, Pp 100032- (2024)

مصطلحات موضوعية: Hypervalent iodine, Bond dissociation energy, Machine learning, Artificial neural network, Mordred, Chemistry, QD1-999, Electronic computers. Computer science, QA75.5-76.95

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2949747723000325; https://doaj.org/toc/2949-7477

URL الوصول: https://doaj.org/article/3291eaeeacf84358ba25b123db3d7057

المؤلفون: Lucía Morán-González, Feliu Maseras

المصدر: Artificial Intelligence Chemistry, Vol 2, Iss 1, Pp 100061- (2024)

مصطلحات موضوعية: Hidden descriptors, Chemical descriptors, Bond dissociation energy, Activation energy, Metal fragments, Ligands, Chemistry, QD1-999, Electronic computers. Computer science, QA75.5-76.95

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2949747724000198; https://doaj.org/toc/2949-7477

URL الوصول: https://doaj.org/article/94f92b65e04740548504c9b4511df0a9

المؤلفون: Z. P. Zhang, S. H. Wang, Y. L. Shang, J. H. Liu, S. N. Luo

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Sociology, Infectious Diseases, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, state theory combined, gibbs free energies, coordinate variational transition, 5 , 2 , bond dissociation reactions, literature combustion model, dissociation rate constants, kinetics calculations show, bond dissociation, rate constants, model predictions, fuel combustion, kinetics calculations, yields c, theoretical study, satisfactory agreement, low pressures, important role, high temperatures, functional groups, dominant channel, best choice

Relation: https://figshare.com/articles/journal_contribution/Theoretical_Study_on_Ethylamine_Dissociation_Reactions_Using_VRC-VTST_and_SS-QRRK_Methods/25371069

الاتاحة: https://doi.org/10.1021/acs.jpca.3c08373.s001

المؤلفون: Michel Stephan, Max Völker, Matthias Schreyer, Peter Burger

المصدر: Chemistry, Vol 5, Iss 3, Pp 1961-1989 (2023)

مصطلحات موضوعية: metal–ligand dπ-pπ-interaction, Ir-O,S bond dissociation enthalpies, DFT, P/LNO-CCSD(T) calculations, oxidation state analysis, metal–ligand charge transfer, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2624-8549/5/3/133; https://doaj.org/toc/2624-8549

URL الوصول: https://doaj.org/article/cb2a7bb0afcb40978f1215c92d6349d6

المؤلفون: J.P. Leal

المصدر: Chemical Thermodynamics and Thermal Analysis, Vol 13, Iss , Pp 100125- (2024)

مصطلحات موضوعية: Bond dissociation enthalpy, Bond enthalpy term, Reorganization enthalpy, Spontaneous rearrangement, Thermodynamics, QC310.15-319

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2667312623000226; https://doaj.org/toc/2667-3126

URL الوصول: https://doaj.org/article/3b2e051fe9ef40e6a33c1d5ac6bfd1e7

المؤلفون: Joaquín Alejandro Hernández Fernández, Katherine Liset Ortiz Paternina, Juan López Martínez

المصدر: Current Research in Green and Sustainable Chemistry, Vol 9, Iss , Pp 100422- (2024)

مصطلحات موضوعية: Caffeic acid, Antioxidant, Stability, Activation energy, MFI, Bond dissociation energy, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2666086524000274; https://doaj.org/toc/2666-0865

URL الوصول: https://doaj.org/article/df54cfbd9f104efaa7d63c126f3779b5

المؤلفون: Fiorillo, Chiara, Trossaert, Lynn, Bezeraj, Erion, Debrie, Simon, Ohnmacht, Hannelore, Van Steenberge, Paul, D'hooge, Dagmar, Edeleva, Mariya

المصدر: RSC SUSTAINABILITY ; ISSN: 2753-8125

مصطلحات موضوعية: Technology and Engineering, Earth and Environmental Sciences, BOND-DISSOCIATION ENERGIES, THERMAL-DEGRADATION, HYDROLYTIC DEGRADATION, POLYETHYLENE TEREPHTHALATE, POLY(ETHYLENE-TEREPHTHALATE) PET, POLY(BUTYLENE TEREPHTHALATE), PHOTOCHEMICAL DEGRADATION, DIETHYLENE GLYCOL, GREEN CHEMISTRY, POLYESTERS

وصف الملف: application/pdf

Relation: https://biblio.ugent.be/publication/01JBXV0SSMT0JTQ8X62YBQ9GM5; http://doi.org/10.1039/d4su00485j; https://biblio.ugent.be/publication/01JBXV0SSMT0JTQ8X62YBQ9GM5/file/01JBXVA8MGKH5AEB0NCQ6NKW2W

الاتاحة: https://biblio.ugent.be/publication/01JBXV0SSMT0JTQ8X62YBQ9GM5
http://hdl.handle.net/1854/LU-01JBXV0SSMT0JTQ8X62YBQ9GM5
https://doi.org/10.1039/d4su00485j
https://biblio.ugent.be/publication/01JBXV0SSMT0JTQ8X62YBQ9GM5/file/01JBXVA8MGKH5AEB0NCQ6NKW2W

المؤلفون: Jing Chen, Tingting Yang, Sushan Feng, Leiyu Wang, Jianhui Xie, Yingying Liu

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Genetics, Molecular Biology, Physiology, Pharmacology, Biotechnology, Cancer, Chemical Sciences not elsewhere classified, yl )- 2, hydrogen atom abstraction, high coordination numbers, bond dissociation energies, 3 ± 0, 2 ′- bipyridine, 2 ± 0, 2 , catalytic oxidation chemistry, 6 ′- di, 2 +, ), 4 , oxo complex ruthenium, oxo complex, >< sub, (< b, h <, oxo species, rate constants

Relation: https://figshare.com/articles/journal_contribution/C_H_Bond_Activation_by_a_Seven-Coordinate_Bipyridine_Bipyrazole_Ruthenium_IV_Oxo_Complex/25321161

الاتاحة: https://doi.org/10.1021/acs.inorgchem.4c00223.s001
https://figshare.com/articles/journal_contribution/C_H_Bond_Activation_by_a_Seven-Coordinate_Bipyridine_Bipyrazole_Ruthenium_IV_Oxo_Complex/25321161

المؤلفون: Haitao Zhao, Xiang Xu, Shunhu Zhang, Jiyuan Sun, Weiwei He, Lifen Zhang, Zhenping Cheng

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Developmental Biology, Cancer, Plant Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, te – te, strong penetration capability, specific photochemical reaction, main absorption window, exceptionally simple compared, deactivation radical polymerization, chicken skin ), c – te, mediated radical polymerization, main absorption spectrum, nir photopolymerization technologies, terp strategy driven, reasonable photochemical protocol, diphenyl ditellurium ), containing dormant species, bond dissociation energy, special nir pcs, nir photocontrolled organotellurium, photocontrolled reversible, mediated reversible

Relation: https://figshare.com/articles/journal_contribution/NIR_Photocontrolled_Organotellurium-Mediated_Reversible-Deactivation_Radical_Polymerization_by_Activation_of_C_Te_Bonds_with_Organotellurium_Radicals/25130251

الاتاحة: https://doi.org/10.1021/acs.macromol.3c01928.s001
https://figshare.com/articles/journal_contribution/NIR_Photocontrolled_Organotellurium-Mediated_Reversible-Deactivation_Radical_Polymerization_by_Activation_of_C_Te_Bonds_with_Organotellurium_Radicals/25130251

المؤلفون: Chien-Hung Cho, Jheng-Wei Su, Lien-Po Yu, Ching-Ray Chang, Pin-Hong Chen, Tzu-Wei Lin, Shin-Hong Liu, Tsung-Hui Li, Ying-Yuan Lee

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, − oh bond, mapping allows us, good polymeric inhibitors, density functional theory, bond dissociation energy, molecule screening problems, 85 given molecules, solvers provides alternatives, group contribution method, integrating qubo solvers, screening molecules, group contribution, qubo solvers, work provides, whose bdes, vast number, strong correlation, spearman ’, qubo solver, qubo model, promising direction, possible compounds, efficient exploration, concept work, challenging task

Relation: https://figshare.com/articles/journal_contribution/Efficient_Exploration_of_Phenol_Derivatives_Using_QUBO_Solvers_with_Group_Contribution-Based_Approaches/25339106

الاتاحة: https://doi.org/10.1021/acs.iecr.3c03331.s001

المؤلفون: Dammene Debbih, Ouafa, Mazouz, Wissam, Benslama, Ouided, Zouchoune, Bachir, Selatnia, Ilhem, Bouchene, Rafika, Sid, Assia, Bouacida, Sofiane, Mosset, Paul

المساهمون: Université Larbi-Ben-Mhidi Oum-El-Bouaghi (OEB), Université Frères Mentouri – Constantine 1 = Constantine 1 – Frères Mentouri University (UMC), Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS), The authors are grateful to DGRSDT (Direction Générale de la Recherche Scientifique et du Développement Technologique) for financial support.

المصدر: ISSN: 0253-4134.

مصطلحات موضوعية: Schiff base, Hydrazones, Spectroscopic analysis, Biological activities, Bond dissociation energy, molecular docking, [CHIM.THER]Chemical Sciences/Medicinal Chemistry

Relation: hal-04613991; https://hal.science/hal-04613991; https://hal.science/hal-04613991/document; https://hal.science/hal-04613991/file/hydrazone%20analogs-as-DNA-gyrase-inhibitors-an.pdf

الاتاحة: https://hal.science/hal-04613991
https://hal.science/hal-04613991/document
https://hal.science/hal-04613991/file/hydrazone%20analogs-as-DNA-gyrase-inhibitors-an.pdf
https://doi.org/10.1007/s12039-024-02264-8

المؤلفون: Jonathan Sánchez González, J.M. Tanko

المصدر: Chemical Thermodynamics and Thermal Analysis, Vol 12, Iss , Pp 100119- (2023)

مصطلحات موضوعية: Monoamine oxidase (MAO), Single electron transfer, C-H bond dissociation energies, MAO catalysis and inhibition, Thermodynamics, QC310.15-319

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2667312623000160; https://doaj.org/toc/2667-3126

URL الوصول: https://doaj.org/article/8a6bc043a64f49cabe6738337e7ce701

المؤلفون: Robert J. O’Reilly, Amir Karton

المصدر: Frontiers in Chemistry, Vol 11 (2023)

مصطلحات موضوعية: chlorophosphine, fluorophosphine, CCSD(T), W2 theory, density functional theory, bond dissociation energy, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fchem.2023.1283418/full; https://doaj.org/toc/2296-2646

URL الوصول: https://doaj.org/article/7dfc12f47da348459db005ab74963837