المؤلفون: Umberto Raucci (433995), Valerio Rizzi (7113587), Michele Parrinello (240049)

مصطلحات موضوعية: Biochemistry, Genetics, Neuroscience, Biotechnology, Cancer, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, spectral graph theory, hoc neural network, different chemical products, collective variable derived, based collective variable, ab initio <, enhanced sampling techniques, enhanced sampling methods, blind reaction discovery, improve sampling, reaction space, reaction paths, results using, molecular dynamics, modular workflow, intermolecular reactions, exploring chemistry, continuously improved, accurate hamiltonian

Relation: https://figshare.com/articles/journal_contribution/Discover_Sample_and_Refine_Exploring_Chemistry_with_Enhanced_Sampling_Techniques/19123244

الاتاحة: https://doi.org/10.1021/acs.jpclett.1c03993.s001

المؤلفون: Christopher A. Rumble (4810836), Eric Vauthey (1287333)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Sociology, Infectious Diseases, Space Science, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, structural descriptor allowed, spherical reactant models, molecular dynamics simulations, persistent large fluctuations, experimental results derived, decay piecewise exponentially, contact reactant pairs, minimum distance separation, bimolecular electron transfer, large fluctuations, electron transfer, decay exponentially, mass separation, computer simulations, bimolecular et, typically assumed, simple measures, significant changes, r <, pair structure, mean value, intermolecular reactions

Relation: https://figshare.com/articles/journal_contribution/Molecular_Dynamics_Simulations_of_Bimolecular_Electron_Transfer_the_Distance-Dependent_Electronic_Coupling/16617793

الاتاحة: https://doi.org/10.1021/acs.jpcb.1c05013.s001

المؤلفون: Lies De Keer (4357417), Federica Cavalli (11559734), Diego Estupiñán (3756058), Andreas J. D. Krüger (11559737), Susana Rocha (191988), Paul H. M. Van Steenberge (8933978), Marie-Françoise Reyniers (1331718), Laura De Laporte (7305824), Johan Hofkens (192007), Leonie Barner (2084122), Dagmar R. D’hooge (1477099)

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Evolutionary Biology, Ecology, Plant Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, strong effect due, star polymeric precursor, speg building blocks, speg )- amine, specific functional groups, overall model validation, intermolecular reactions determine, given type (<, given molar mass, dye molecules added, combining experimental design, individual network molecules, >- propylene oxide, epoxy click reaction, spectroscopic experimental data, prominent diffusional limitations, polymer network yield, narrow distribution regarding, diffusion parameters based, least three cross, kmc modeling provides, growth network synthesis

Relation: https://figshare.com/articles/journal_contribution/Synergy_of_Advanced_Experimental_and_Modeling_Tools_to_Underpin_the_Synthesis_of_Static_Step-Growth-Based_Networks_Involving_Polymeric_Precursor_Building_Blocks/16806656

الاتاحة: https://doi.org/10.1021/acs.macromol.1c01476.s001

المؤلفون: Zippel, Christoph, Hassan, Zahid, Nieger, Martin, Bräse, Stefan

المساهمون: Department of Chemistry

مصطلحات موضوعية: Catalyst Design, Bimetallic Catalysts, Chiral dirhodium(II) complexes, Cyclopropanation, Planar Chirality, [2, 2]Paracyclophane, C-H FUNCTIONALIZATION, INTERMOLECULAR REACTIONS, ENANTIOSELECTIVE CYCLOPROPENATION, INSERTION REACTIONS, ORGANIC-SYNTHESIS, YLIDE GENERATION, DIAZOESTERS, COMPLEXES, TETRACARBOXYLATES, DERIVATIVES, Chemical sciences

وصف الملف: application/pdf

Relation: This research has been funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany's Excellence Strategy - 2082/1-390761711. The authors acknowledge generous support for this research by the Karlsruhe Institute of Technology (KIT) and the DFG-funded Collaborative Research Centre (SFB) TRR 88/3MET "Cooperative Effects in Homo-and Heterometallic Complexes" is gratefully acknowledged.; Zippel , C , Hassan , Z , Nieger , M & Bräse , S 2020 , ' Design and Synthesis of a [2.2]Paracyclophane-based Planar Chiral Dirhodium Catalyst and its Applications in Cyclopropanation Reaction of Vinylarenes with alpha-Methyl-alpha-Diazo Esters ' , Advanced Synthesis & Catalysis , vol. 362 , no. 16 , pp. 3431-3436 . https://doi.org/10.1002/adsc.202000512; ORCID: /0000-0003-1677-0109/work/79516867; http://hdl.handle.net/10138/318494; 33c831a2-107c-43d9-8e44-33126e5fb4c8; 000548181100001

الاتاحة: http://hdl.handle.net/10138/318494

المؤلفون: Nazarii Sabat, Xavier Guinchard, Olivier Berteau, Feryel Soualmia, Alhosna Benjdia, Pascal Retailleau

المساهمون: Institut de Chimie des Substances Naturelles (ICSN), Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), MICrobiologie de l'ALImentation au Service de la Santé (MICALIS), AgroParisTech-Université Paris-Saclay-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Institut de Chimie du CNRS (INC)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), ANR-11-LABX-0039,CHARMMMAT,CHimie des ARchitectures MoléculairesMultifonctionnelles et des MATériaux(2011), European Project: 617053,EC:FP7:ERC,ERC-2013-CoG,NORACHEM(2014), Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)

المصدر: Organic Letters
Organic Letters, American Chemical Society, 2020, 22 (11), pp.4344-4349. ⟨10.1021/acs.orglett.0c01370⟩
Organic Letters, 2020, 22 (11), pp.4344-4349. ⟨10.1021/acs.orglett.0c01370⟩

مصطلحات موضوعية: Tryptamine, Reaction products, Peptides and proteins, 010402 general chemistry, 01 natural sciences, Biochemistry, HIGHLY EFFICIENT, CYCLIZATION, Catalysis, chemistry.chemical_compound, INDOLES, Organic chemistry, WATER, [CHIM]Chemical Sciences, Physical and Theoretical Chemistry, ALKYNES, N-propargyl, Aqueous medium, Catalysts, CONSTRUCTION, 010405 organic chemistry, Chemistry, [CHIM.ORGA]Chemical Sciences/Organic chemistry, Organic Chemistry, Monomers, Tryptophan, [CHIM.CATA]Chemical Sciences/Catalysis, 0104 chemical sciences, Tryptamines, DEAROMATIZATION, INTERMOLECULAR REACTIONS, SILVER(I), SPIROINDOLENINES

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a15b0661eea9047e0320857cfddb0ac7
https://hal.inrae.fr/hal-02933778

المؤلفون: Christoph Zippel, Stefan Bräse, Martin Nieger, Zahid Hassan

المساهمون: Department of Chemistry

مصطلحات موضوعية: Steric effects, ENANTIOSELECTIVE CYCLOPROPENATION, Cyclopropanation, [2, 116 Chemical sciences, Chiral dirhodium(II) complexes, Planar chirality, 010402 general chemistry, 01 natural sciences, Medicinal chemistry, Bimetallic Catalysts, Catalysis, C-H FUNCTIONALIZATION, chemistry.chemical_compound, Planar Chirality, Propionates, YLIDE GENERATION, 2]Paracyclophane, INSERTION REACTIONS, 010405 organic chemistry, DERIVATIVES, Enantioselective synthesis, TETRACARBOXYLATES, General Chemistry, ORGANIC-SYNTHESIS, 0104 chemical sciences, chemistry, INTERMOLECULAR REACTIONS, Diazo, Organic synthesis, COMPLEXES, DIAZOESTERS, Catalyst Design

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3ee083b80cd690c666293a4ec8201ee3
http://hdl.handle.net/10138/318494

المؤلفون: Sabat, Nazarii, Soualmia, Feryel, Retailleau, Pascal, Benjdia, Alhosna, Berteau, Olivier, Guinchard, Xavier

المساهمون: Institut de Chimie des Substances Naturelles (ICSN), Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), MICrobiologie de l'ALImentation au Service de la Santé (MICALIS), AgroParisTech-Université Paris-Saclay-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)

المصدر: https://hal.inrae.fr/hal-02933778 ; 2020.

مصطلحات موضوعية: WATER, SPIROINDOLENINES, CYCLIZATION, CONSTRUCTION, INDOLES, DEAROMATIZATION, HIGHLY EFFICIENT, INTERMOLECULAR REACTIONS, SILVER(I), ALKYNES, [CHIM]Chemical Sciences, [CHIM.CATA]Chemical Sciences/Catalysis

Relation: info:eu-repo/semantics/altIdentifier/pmid/32643380; hal-02933778; https://hal.inrae.fr/hal-02933778; PUBMED: 32643380; WOS: 000538848600057

الاتاحة: https://hal.inrae.fr/hal-02933778
https://doi.org/10.26434/chemrxiv.12136782.v1

المؤلفون: Manabu Abe, 安倍 学

المصدر: Abstracts of Symposium on Physical Organic Chemistry. 2007, :64

المؤلفون: Akinobu Takegami, Manabu ABE, Takeshi Nakamura, 中村 岳史, 安倍 学, 竹上 明伸

المصدر: Abstracts of Symposium on Physical Organic Chemistry. 2007, :44

المؤلفون: Wang, Dinghai, Wang, Fei, Chen, Pinghong, Lin, Zhenyang, Liu, Guosheng

مصطلحات موضوعية: Alkenes, Asymmetric catalysis, Copper, Intermolecular reactions, Radical reactions

Relation: http://repository.ust.hk/ir/Record/1783.1-83840; Angewandte Chemie - International Edition, v. 56, (8), 2017, p. 2054-2058; https://doi.org/10.1002/anie.201611850; http://lbdiscover.ust.hk/uresolver?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rfr_id=info:sid/HKUST:SPI&rft.genre=article&rft.issn=1433-7851&rft.volume=56&rft.issue=8&rft.date=2017&rft.spage=2054&rft.aulast=Wang&rft.aufirst=D.&rft.atitle=Enantioselective+Copper-Catalyzed+Intermolecular+Amino-+and+Azidocyanation+of+Alkenes+in+a+Radical+Process&rft.title=Angewandte+Chemie+%28International+ed.%29; http://www.scopus.com/record/display.url?eid=2-s2.0-85011824760&origin=inward; http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=LinksAMR&SrcApp=PARTNER_APP&DestLinkType=FullRecord&DestApp=WOS&KeyUT=000397323300013

الاتاحة: http://repository.ust.hk/ir/Record/1783.1-83840
https://doi.org/10.1002/anie.201611850
http://lbdiscover.ust.hk/uresolver?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rfr_id=info:sid/HKUST:SPI&rft.genre=article&rft.issn=1433-7851&rft.volume=56&rft.issue=8&rft.date=2017&rft.spage=2054&rft.aulast=Wang&rft.aufirst=D.&rft.atitle=Enantioselective+Copper-Catalyzed+Intermolecular+Amino-+and+Azidocyanation+of+Alkenes+in+a+Radical+Process&rft.title=Angewandte+Chemie+%28International+ed.%29
http://www.scopus.com/record/display.url?eid=2-s2.0-85011824760&origin=inward
http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=LinksAMR&SrcApp=PARTNER_APP&DestLinkType=FullRecord&DestApp=WOS&KeyUT=000397323300013

المؤلفون: Shobhana Krishnaswamy, Mysore S. Shashidhar, Majid I. Tamboli, Rajesh G. Gonnade

المصدر: IndraStra Global.

مصطلحات موضوعية: Stereochemistry, Carbonates, Crystal engineering, Crystal structure, Radical cyclization, Catalysis, chemistry.chemical_compound, Nucleophile, Cyclization reactions, Polymer chemistry, Molecular crystals, Nucleophilic substitution, Chemistry, Organic Chemistry, Intermolecular reactions, General Chemistry, Intramolecular cyclizations, Solid phase synthesis, Cyclization, Alcohols, Synthesis (chemical), Electrophile, Nucleophilic substitutions, Polyols, Chemical stability, Thiocarbonate, Solid state reactions, Sugars, Cyclitols, Inositols, Non-covalent interaction, Crystal orientation

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b7ce07b44b13e28b971b3026516ff268

المؤلفون: Vachhani, Dipak D, Mehta, Vaibhav P, Modha, Sachin G, Van Hecke, Kristof, Van Meervelt, Luc, Van der Eycken, Erik V

المصدر: ADVANCED SYNTHESIS & CATALYSIS ; ISSN: 1615-4150

مصطلحات موضوعية: Chemistry, homogenous catalysis, hydroamination, heteroannulation, gold, microwave irradiation, pyrazinones, silver, GOLD-CATALYZED REACTIONS, DIVERSITY-ORIENTED SYNTHESIS, CROSS-COUPLING REACTION, C-C, ORGANIC-SYNTHESIS, INTERMOLECULAR REACTIONS, HETEROCYCLIC SYNTHESIS, MEDIATED SYNTHESIS, H BONDS, ALKYNES

وصف الملف: application/pdf

Relation: https://biblio.ugent.be/publication/2970610; http://hdl.handle.net/1854/LU-2970610; http://dx.doi.org/10.1002/adsc.201100881; https://biblio.ugent.be/publication/2970610/file/8628673

الاتاحة: https://biblio.ugent.be/publication/2970610
http://hdl.handle.net/1854/LU-2970610
https://doi.org/10.1002/adsc.201100881
https://biblio.ugent.be/publication/2970610/file/8628673

المؤلفون: Céline Besnard, Philip Pattison, Jérôme Lacour, Joyram Guin

المصدر: Chemical Science, Vol. 2, No 3 (2011) pp. 425-428
Chemical Science

مصطلحات موضوعية: Resolution (mass spectrometry), 010405 organic chemistry, Hydride, Chemistry, Intermolecular Reactions, Cationic polymerization, General Chemistry, Alkylation Reactions, 010402 general chemistry, Highly selective, 01 natural sciences, Combinatorial chemistry, Benzylic Carbocations, 0104 chemical sciences, 3. Good health, Ion, Nucleophile, Cations, Reagent, ddc:540, Organic chemistry, Resolution

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b18d5ac4fc7de4ce27d93b557854d11d
https://archive-ouverte.unige.ch/unige:14469

المؤلفون: Verniest, Guido, Padwa, Albert

المصدر: ORGANIC LETTERS ; ISSN: 1523-7060

مصطلحات موضوعية: Chemistry, CONIA-ENE REACTION, HIGHLY SUBSTITUTED FURANS, CATALYZED CYCLOISOMERIZATION, O-ALKYNYLBENZALDEHYDES, RAUTENSTRAUCH REARRANGEMENT, INTERMOLECULAR REACTIONS, EFFICIENT PREPARATION, BETA-KETOESTERS, MILD CONDITIONS, BOND FORMATION

Relation: https://biblio.ugent.be/publication/631266; http://hdl.handle.net/1854/LU-631266; http://dx.doi.org/10.1021/ol801847j

الاتاحة: https://biblio.ugent.be/publication/631266
http://hdl.handle.net/1854/LU-631266
https://doi.org/10.1021/ol801847j

المؤلفون: Vidaković, Dragana, Molčanov, Krešimir, Kojić-Prodić, Biserka, Šindler-Kulyk, Marija

المساهمون: Landgraf, Stephan

مصطلحات موضوعية: photochemistry, thiophenes, intramolecular reactions, intermolecular reactions, photocycloadditions

URL الوصول: https://explore.openaire.eu/search/publication?articleId=57a035e5b1ae::eba3aeb057bd0a5401d2dcd3ba6271a9
https://www.bib.irb.hr/322556

المؤلفون: Butković, Kristina, Marinić, Željko, Šindler-Kulyk, Marija

مصطلحات موضوعية: 3-dipolar cycloadditions, intermolecular reactions, intramolecular reactions, sydnones, stilbenes, photochemistry, heterocycles

URL الوصول: https://explore.openaire.eu/search/publication?articleId=57a035e5b1ae::2649265ec4df6c7bfd72502e3b9d8c20
https://www.bib.irb.hr/201530

المؤلفون: Butković, Kristina, Vidaković, Dragana, Marinić, Željko, Šindler-Kulyk, Marija

المساهمون: Rapić, Vladimir, Rogošić, Marko

مصطلحات موضوعية: aminostilbenes, nitrosoglycine, sydnone, stilbenylsydnone, photochemical reactions, thermal reactions, intramolecular reactions, intermolecular reactions

URL الوصول: https://explore.openaire.eu/search/publication?articleId=57a035e5b1ae::9911c6c4e18939ca49c61f3f6eea622e
https://www.bib.irb.hr/192766

المؤلفون: Shaokun Cai, Hong Tang, Bo Li, Yingbo Shao, Danqi Zhang, Hanliang Zheng, Tianjiao Qiao, Xin Chu, Gang He, Xiao-Song Xue, Gong Chen

مصطلحات موضوعية: Biophysics, Biochemistry, Microbiology, Genetics, Molecular Biology, Developmental Biology, Computational Biology, Chemical Sciences not elsewhere classified, mechanistic investigations uncover, lone electron pair, dexterous proton shuttles, mediated hydride liberation, hfip molecules act, hydride liberation, small molecules, typically restrained, stage modification, simple treatment, negative hyperconjugation, mild conditions, intermolecular reactions, critical role, complex peptides, besides transformations, antibonding orbital, amine ’, accommodating conformation

Relation: https://figshare.com/articles/journal_contribution/Formaldehyde-Mediated_Hydride_Liberation_of_Alkylamines_for_Intermolecular_Reactions_in_Hexafluoroisopropanol/25293108

الاتاحة: https://doi.org/10.1021/jacs.3c12215.s001
https://figshare.com/articles/journal_contribution/Formaldehyde-Mediated_Hydride_Liberation_of_Alkylamines_for_Intermolecular_Reactions_in_Hexafluoroisopropanol/25293108

المؤلفون: Cassie Pratley, Sabine Fenner, John A. Murphy

مصطلحات موضوعية: Biochemistry, Pharmacology, Developmental Biology, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, ground state radical, ground state generation, 42 – 95, desired cyclization products, 3 , 2 , n <, paper reports, intermolecular reactions, first examples, dinitrophenoxy derivatives, aminium radicals, air atmosphere, acidic conditions, >- 2

Relation: https://figshare.com/articles/journal_contribution/Ground_State_Generation_and_Cyclization_of_Aminium_Radicals_in_the_Formation_of_Tetrahydroquinolines/25137028

الاتاحة: https://doi.org/10.1021/acs.orglett.4c00179.s001
https://figshare.com/articles/journal_contribution/Ground_State_Generation_and_Cyclization_of_Aminium_Radicals_in_the_Formation_of_Tetrahydroquinolines/25137028

المؤلفون: Apeland, Ingrid Malene

مصطلحات موضوعية: 35.00 Chemie: Allgemeines, 35.07 Chemisches Labor, chemische Methoden, 35.10 Physikalische Chemie: Allgemeines, 35.16 Photochemie, Foiled Carbene / Stabilisierung / Walshorbitale / Cyclopropanring / Doppelbindung / Hyperkonjugation / Intermolekulare Reaktionen / Umlagerungsreaktionen / Selektivtät / Stereoselektivität / Additionen / Insertionen / Oxadiazoline / Kinetik / Thermolyse / Photolyse, Foiled Carbenes / Stabilization / Walsh Orbitals / Cyclopropane Ring / Double Bond / Hyperconjugation / Intermolecular Reactions / Rearrangement Reactions / Selectivity / Stereoselectivity / Additions / Insertions / Oxadiazolines / Kinetics / Thermolysis / Photolysis

وصف الملف: pdf

Relation: Apeland, Ingrid Malene (2013) Participation of a cyclopropane ring within foiled carbenes. Dissertation, Universität Wien. Fakultät für Chemie BetreuerIn: Brinker, Udo Gesperrt bis: 1 Dezember 2016

الاتاحة: http://othes.univie.ac.at/30773/