المؤلفون: Chuang Yao, Kai-Le Dou, Yezi Yang, Chongyang Li, Chang Q Sun, Jian Sun, Chunlin He, Lei Zhang, Siping Pang

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Evolutionary Biology, Ecology, Computational Biology, Chemical Sciences not elsewhere classified, work might pave, low mechanical sensitivity, lone pair σ, intermolecular nonbonding interactions, compounds needs exploitation, outperforming existing hedms, low energy barriers, 8 , high energy density, hedms ), density materials, energy efficiency, various angles, unique lollipop, shaped conformation, remarkable properties, physical properties, nitrogen solids, nitrogen crystals, molecular structure, letter presents, intriguing n, important impact

Relation: https://figshare.com/articles/journal_contribution/Nonbonding_Electron_Delocalization_Stabilizes_the_Flexible_N_sub_8_sub_Molecular_Assembly/25126120

الاتاحة: https://doi.org/10.1021/acs.jpclett.3c03285.s001
https://figshare.com/articles/journal_contribution/Nonbonding_Electron_Delocalization_Stabilizes_the_Flexible_N_sub_8_sub_Molecular_Assembly/25126120

المؤلفون: Yumiao Huo, Haoyuan Qi, Shuyao He, Jie Li, Shuping Song, Jichen Lv, Yuchao Liu, Ling Peng, Shian Ying, Shouke Yan

المصدر: Aggregate, Vol 4, Iss 6, Pp n/a-n/a (2023)

مصطلحات موضوعية: aggregation‐induced narrowband, carbazole‐pyrimidine derivatives, nonbonding interactions, organic light‐emitting diodes, ultraviolet emission, Chemistry, QD1-999, Biology (General), QH301-705.5

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2692-4560

URL الوصول: https://doaj.org/article/ece755bd7da546ce883a72d3bdcf312d

المؤلفون: Woźny, Mateusz, Mames, Adam, Ratajczyk, Tomasz

المساهمون: Millo, Enrico, Institute of Organic Chemistry, Polish Academy of Sciences, Institute of Physical Chemistry, Polish Academy of Sciences

مصطلحات موضوعية: triptycene, synthesis, regioselective, sterically crowded, catalysis, molecular interactions, hydrogen bonds, nonbonding interactions, NMR

وصف الملف: application/pdf

Relation: Woźny, M.; Mames, A.; Ratajczyk, T. Triptycene Derivatives: From Their Synthesis to Their Unique Properties. Molecules 2022, 27, 250. https://doi.org/10.3390/molecules27010250; https://depot.ceon.pl/handle/123456789/21362

الاتاحة: https://depot.ceon.pl/handle/123456789/21362
https://doi.org/10.3390/molecules27010250

المؤلفون: Katherine A. Charbonnet (1356300), William A. Alexander (1356297)

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Biotechnology, Cancer, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, uranium hexafluoride interacting, screening intermolecular potentials, optimal octahedral geometry, nonorganic phosphoryl species, methyl amine ), intermolecular binding energies, electronic structure calculations, corrected dft theory, amine group displayed, ” heteroatoms result, 1 – 0, largest ibe values, stabilizing nonbonding interactions, display large ibes, calculated using mp2, 6 , 5 – 1, ibe ∼ 0, u ), cc, ibe ∼, specific heteroatoms, weakest interactions

Relation: https://figshare.com/articles/journal_contribution/Computational_Studies_of_Uranium_Hexafluoride_Interacting_with_Functionalized_Organics_I_Screening_Intermolecular_Potentials_between_UF_sub_6_sub_and_Small_Organic_Functional_Groups/16980637

الاتاحة: https://doi.org/10.1021/acs.jpca.1c05853.s001

المؤلفون: Tamanna Islam (8126889), Md. Nurul Huda (11190290), Md Ariful Ahsan (9251511), Humayra Afrin (11832580), Christiancel Joseph J Salazar (11832583), Md Nurunnabi (1766245)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Genetics, Molecular Biology, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, viscous colloidal system, type 2 diabetes, fatty molecule absorption, dft analysis revealed, density functional theory, model fat molecule, lowering fat digestion, fat capturing mechanism, dft ), monte, experimental results revealed, possible interfacial interactions, macroscale molecular interactions, β ‑ glucan, chain bg showed, multiple dha molecules, fat molecules, nonbonding interactions, possible microscale, molecular dynamics

Relation: https://figshare.com/articles/journal_contribution/Theoretical_and_Experimental_Insights_into_the_Possible_Interfacial_Interactions_between_Glucan_and_Fat_Molecules_in_Aqueous_Media/17193118

الاتاحة: https://doi.org/10.1021/acs.jpcb.1c08065.s001

المؤلفون: Md Ackas Ali (8773019), Md Sajjadur Rahman (8773010), Ranen Roy (10355113), Paul Gambill (10355116), Douglas E. Raynie (8250273), Mohammad A. Halim (6383612)

مصطلحات موضوعية: Biophysics, Biochemistry, Microbiology, Genetics, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, technique, Experimental, mass spectrometry analysis, chiral molecule-based DESs, Menthol-Based Deep Eutectic Solvent, nonbonding interactions, l-menthol, achiral acetic acid, formation, analyses, IR-VCD, Principal component analysis, chirality transfer, ω B 97XD, sample, PCA, VCD, IR, data, spectra, solvatochromism

Relation: https://figshare.com/articles/journal_contribution/Structure_Elucidation_of_Menthol-Based_Deep_Eutectic_Solvent_using_Experimental_and_Computational_Techniques/14269747

الاتاحة: https://doi.org/10.1021/acs.jpca.0c10735.s001

المؤلفون: Ana Maria Faisca Phillips, Martin H. G. Prechtl, Armando J. L. Pombeiro

المصدر: Catalysts; Volume 11; Issue 5; Pages: 569

مصطلحات موضوعية: asymmetric synthesis, H-bonding, nonbonding interactions, density functional theory calculations, Michael addition, cycloadditions, anion-binding catalysis, cascade reactions, transition states, organocatalysis

وصف الملف: application/pdf

Relation: Catalysis in Organic and Polymer Chemistry; https://dx.doi.org/10.3390/catal11050569

الاتاحة: https://doi.org/10.3390/catal11050569

المؤلفون: Adam Mames, Mateusz Woźny, Tomasz Ratajczyk

المصدر: Molecules, Vol 27, Iss 250, p 250 (2022)
Molecules

مصطلحات موضوعية: synthesis, catalysis, Pharmaceutical Science, Organic chemistry, Review, NMR, Analytical Chemistry, QD241-441, Chemistry (miscellaneous), regioselective, hydrogen bonds, nonbonding interactions, Drug Discovery, triptycene, Molecular Medicine, Physical and Theoretical Chemistry, sterically crowded, molecular interactions

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e83523617dcd257b26eaa1b625adac52
https://www.mdpi.com/1420-3049/27/1/250

المؤلفون: Tânia A. O. Fonseca, Matheus P. Freitas, Rodrigo A. Cormanich, Teodorico C. Ramalho, Cláudio F. Tormena, Roberto Rittner

المصدر: Beilstein Journal of Organic Chemistry, Vol 8, Iss 1, Pp 112-117 (2012)

مصطلحات موضوعية: conformational analysis, 2'-haloflavonols, intramolecular hydrogen bond, nonbonding interactions, theoretical calculations, Science, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1860-5397

URL الوصول: https://doaj.org/article/4cbbddb717a443519f2c9af419061889

المؤلفون: Rahman, Adhip, Ali, Mohammad Tuhin, Shawan, Mohammad Mahfuz Ali Khan, Sarwar, Mohammed Golam, Khan, Mohammad A. K., Halim, Mohammad Abdul

المساهمون: The Red-Green Research Centre Dhaka (RGRC), University of Dhaka, Jahangirnagar University (JU), Ruhr University Bochum = Ruhr-Universität Bochum (RUB), Jubail University College, Institut Lumière Matière Villeurbanne (ILM), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)

المصدر: ISSN: 2193-1801 ; SpringerPlus ; https://univ-lyon1.hal.science/hal-02290211 ; SpringerPlus, 2016, 5, pp.1346. ⟨10.1186/s40064-016-2996-5⟩.

مصطلحات موضوعية: Alzheimer's disease, Computer aided drug design, Density functional theory, Molecular docking, Nonbonding interactions, Halogenation, [CHIM.THER]Chemical Sciences/Medicinal Chemistry, [CHIM.CHEM]Chemical Sciences/Cheminformatics

Relation: hal-02290211; https://univ-lyon1.hal.science/hal-02290211; https://univ-lyon1.hal.science/hal-02290211/document; https://univ-lyon1.hal.science/hal-02290211/file/s40064-016-2996-5.pdf

الاتاحة: https://univ-lyon1.hal.science/hal-02290211
https://univ-lyon1.hal.science/hal-02290211/document
https://univ-lyon1.hal.science/hal-02290211/file/s40064-016-2996-5.pdf
https://doi.org/10.1186/s40064-016-2996-5

المؤلفون: Fonseca, Tânia A. O., Freitas, Matheus P., Cormanich, Rodrigo A., Ramalho, Teodorico C., Tormena, Cláudio F., Rittner, Roberto

المصدر: Beilstein Journal of Organic Chemistry

مصطلحات موضوعية: Conformational analysis, 2'-haloflavonols, Intramolecular hydrogen bond, Nonbonding interactions, Theoretical calculations

وصف الملف: application/pdf

Relation: FONSECA, T. A. O. et al. Computational evidence for intramolecular hydrogen bonding and nonbonding X···O interactions in 2'-haloflavonols. Beilstein Journal of Organic Chemistry, [S.l.], v. 8, p. 112-117, Jan. 2012. DOI:10.3762/bjoc.8.12.; http://repositorio.ufla.br/jspui/handle/1/41161

الاتاحة: http://repositorio.ufla.br/jspui/handle/1/41161

المؤلفون: Adhip Rahman, Akib Mahmud Khan, Jakaria Shawon, Mohammad A. K. Khan, Mohammad A. Halim, Mohammad Mazharol Hoque, Mohammed G. Sarwar

المساهمون: The Red-Green Research Centre [Dhaka] (RGRC), University of Dhaka, Jubail University College, Ruhr-Universität Bochum [Bochum], Institut Lumière Matière [Villeurbanne] (ILM), Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon

المصدر: INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES
INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES, 2018, 10 (3), pp.525-537. ⟨10.1007/s12539-016-0186-3⟩

مصطلحات موضوعية: 0301 basic medicine, Azelaic acid, Molecular model, Stereochemistry, Drug design, Electrons, Health Informatics, 010402 general chemistry, 01 natural sciences, General Biochemistry, Genetics and Molecular Biology, [SPI]Engineering Sciences [physics], Structure-Activity Relationship, 03 medical and health sciences, chemistry.chemical_compound, Molecular recognition, medicine, [CHIM]Chemical Sciences, Molecule, Dicarboxylic Acids, Rational drug design, Nonbonding interactions, [PHYS]Physics [physics], Binding Sites, Trifluoromethyl, biology, Chemistry, Hydrogen bond, Hydrogen Bonding, DNA Polymerase I, 0104 chemical sciences, 3. Good health, Computer Science Applications, Molecular Docking Simulation, 030104 developmental biology, Acne, Molecular docking, Density functional theory, biology.protein, Thermodynamics, DNA polymerase I, Hydrophobic and Hydrophilic Interactions, medicine.drug

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5e3f603a5ef5ae8bf1a28e719117c215
https://doi.org/10.1007/s12539-016-0186-3

المؤلفون: PRASAD, PR, SINGH, HB, BUTCHER, RJ

مصطلحات موضوعية: Dot-N Interactions, Glutathione-Peroxidase Mimetics, Chiral Selenium Electrophiles, Macrocyclic Schiff-Base, Se-77 Nmr-Spectroscopy, X-Ray-Structure, Organoselenium Compounds, 3-(Arylchalcogeno)Propenoyl Chlorides, Intramolecular Coordination, Nonbonding Interactions, Beta-Chalcocyclohexenals, Dichalcogenides, Chalcogenides, Intramolecular Secondary Bonding

Relation: JOURNAL OF ORGANOMETALLIC CHEMISTRY,814,42-56; http://dx.doi.org/10.1016/j.jorganchem.2016.04.019

الاتاحة: https://doi.org/10.1016/j.jorganchem.2016.04.019

المؤلفون: PRASAD, PR, SELVAKUMAR, K, SINGH, HB, BUTCHER, RJ

مصطلحات موضوعية: Peroxidase-Like Activity, Spin Coupling-Constants, Dot-N Interactions, Heterocyclic-Compounds, Organoselenium Chemistry, Crystal-Structure, Nonbonding Interactions, Antioxidant Activity, Diaryl Ditellurides, Tellurium Analogs

Relation: JOURNAL OF ORGANIC CHEMISTRY,81(8)3214-3226; http://dx.doi.org/10.1021/acs.joc.6b00173

الاتاحة: https://doi.org/10.1021/acs.joc.6b00173

المؤلفون: Sanjio S. Zade, Santosh K. Tripathi, Gotthelf Wolmershäuser, Snigdha Panda, Harkesh B. Singh

المصدر: European Journal of Organic Chemistry. 2004:3857-3864

مصطلحات موضوعية: Diaryl Diselenides, chemistry.chemical_element, Reductase, Nonbonding Interactions, Catalysis, Dilithium, Diselenide, chemistry.chemical_compound, Benzisochalcogenazolone, Organoselenium Compounds, Organic chemistry, Physical and Theoretical Chemistry, Pyridineselenolate Complexes, Chiral Selenium Electrophiles, Glutathione-Peroxidase Activity, Asymmetric Methoxyselenenylation, Vi Semiconductors, Ebselen, Bromine, Organic Chemistry, Antioxidant Activity, Volatile Cvd Precursors, Te-N Heterocycles, Glutathione peroxidase activity, Combinatorial chemistry, chemistry, Free-Radical Synthesis, Ortho-Lithiation, Selenium

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8ed2636886591d8bdce0a6fa2aa38850
https://doi.org/10.1002/ejoc.200400326

المؤلفون: SELVAKUMAR, K, SINGH, HB, GOEL, N, SINGH, UP, BUTCHER, RJ

مصطلحات موضوعية: Peroxidase-Like Activity, Active Organoselenium Compound, Cyclic Seleninate Esters, Glutathione-Peroxidase, Crystal-Structure, C-2-Symmetric Spiroselenurane, Nonbonding Interactions, Absolute-Configuration, Enantiomerically Pure, Antioxidant Activity

Relation: DALTON TRANSACTIONS,40(38)9858-9867; http://dx.doi.org/10.1039/c1dt10862j; http://dspace.library.iitb.ac.in/jspui/handle/100/14291

الاتاحة: http://dspace.library.iitb.ac.in/jspui/handle/100/14291
https://doi.org/10.1039/c1dt10862j

المؤلفون: Matheus P. Freitas, Roberto Rittner, Rodrigo A. Cormanich, Cláudio F. Tormena, Teodorico C. Ramalho, Tânia A. O. Fonseca

المصدر: Beilstein Journal of Organic Chemistry
Beilstein Journal of Organic Chemistry, Vol 8, Iss 1, Pp 112-117 (2012)

مصطلحات موضوعية: Chemistry, Hydrogen bond, Stereochemistry, Atoms in molecules, Organic Chemistry, intramolecular hydrogen bond, conformational analysis, Full Research Paper, lcsh:QD241-441, Crystallography, lcsh:Organic chemistry, Intramolecular force, nonbonding interactions, 2'-haloflavonols, lcsh:Q, lcsh:Science, Conformational isomerism, Natural bond orbital, theoretical calculations

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f68df01d816e0091c3f88f78138d079b
https://pubmed.ncbi.nlm.nih.gov/22423278

المؤلفون: Dagdigian, Paul J., Alexander, Millard H.

المساهمون: JOHNS HOPKINS UNIV BALTIMORE MD DEPT OF CHEMISTRY

المصدر: DTIC AND NTIS

مصطلحات موضوعية: Atomic and Molecular Physics and Spectroscopy, INTERACTIONS, ATOMS, MOLECULAR DYNAMICS, FLUORESCENCE, QUANTUM CHEMISTRY, CARBON, MONTE CARLO METHOD, HYDROGEN, OXYGEN, ALUMINUM, ATOMIC SPECTROSCOPY, BORON, NONBONDING INTERACTIONS, ATOM MOLECULE INTERACTIONS, LIGHT ATOMS, ELECTRONIC SPECTROSCOPY

وصف الملف: text/html

Relation: http://www.dtic.mil/docs/citations/ADA387517

الاتاحة: http://www.dtic.mil/docs/citations/ADA387517
http://oai.dtic.mil/oai/oai?&verb=getRecord&metadataPrefix=html&identifier=ADA387517

المؤلفون: Dagdigian, Paul J.

المساهمون: JOHNS HOPKINS UNIV BALTIMORE MD DEPT OF CHEMISTRY

المصدر: DTIC AND NTIS

مصطلحات موضوعية: Electrooptical and Optoelectronic Devices, Atomic and Molecular Physics and Spectroscopy, OSCILLATORS, OPTICAL EQUIPMENT, PARAMETRIC ANALYSIS, YAG LASERS, METHYL RADICALS, MOLECULES, ATOMS, HYDROGEN, ELECTRONIC STATES, ALUMINUM, HALIDES, ELECTRON TRANSITIONS, NEODYMIUM LASERS, ATOM MOLECULE INTERACTIONS, NONBONDING INTERACTIONS, LIGHT ATOMS, PHOTOACOUSTIC SPECTROSCOPY, METHYL HALIDE ISOTOPOMERS

وصف الملف: text/html

Relation: http://www.dtic.mil/docs/citations/ADA381610

الاتاحة: http://www.dtic.mil/docs/citations/ADA381610
http://oai.dtic.mil/oai/oai?&verb=getRecord&metadataPrefix=html&identifier=ADA381610

المؤلفون: Sourav Mukherjee, Bimlesh Lochab

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Pharmacology, Evolutionary Biology, Ecology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, witness excellent performances, present work advocates, phenolic – oh, nonbonding interactions within, intra -/ intermolecular, built latent catalysis, biobased oxazine ring, another underperforming monomer, anisolic – ome, advanced synthetic regimes, guided interactions improved, detailed structural analyses, thermal performance modulation, polybenzoxazines also possessed, high thermal stability, substituted benzoxazine monomers, thermal performance, structural engineering, guided strategies, benzoxazine monomers, brilliant performance

Relation: https://figshare.com/articles/journal_contribution/Hydrogen_Bonding-Guided_Strategies_for_Thermal_Performance_Modulation_in_Biobased_Oxazine_Ring-Substituted_Benzoxazine_Thermosets/25229794

الاتاحة: https://doi.org/10.1021/acs.macromol.3c02454.s001
https://figshare.com/articles/journal_contribution/Hydrogen_Bonding-Guided_Strategies_for_Thermal_Performance_Modulation_in_Biobased_Oxazine_Ring-Substituted_Benzoxazine_Thermosets/25229794