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在“Elsevier电子期刊”中，命中：1,739条，耗时：0.0189911 秒

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1.Dynamic ¹H-NMR study of unusually high barrier to rotation about the partial CN double bond in N,N-dimethyl carbamoyl 5-aryloxytetrazoles

作者：Fahimeh Movahedifar^a ; Ali Reza Modarresi-Alam^a ; ^{modaresi@chem.usb.ac.ir} ; Erich Kleinpeter^b ; Uwe Schilde^b

关键词：Dynamic 1H-NMR ; Carbamoyl tetrazoles ; Barrier to rotation about CN bond ; π-Stacking ; B3LYP/6-311++G**

刊名：Journal of Molecular Structure

出版年：2017

2.Quantum mechanical and spectroscopic (FT-IR, FT-Raman,¹H,¹³C NMR, UV-Vis) studies, NBO, NLO, HOMO, LUMO and Fukui function analysis of 5-Methoxy-1H-benzo[d]imidazole-2(3H)-thione by DFT studies

作者：Manju Pandey^a ; S. Muthu^b ; N.M. Nanje Gowda^a ; ^{nanjegowda.nm@christuniversity.in}

关键词：DFT ; FTIR ; FT-Raman ; 1H and 13C NMR ; UV-Vis ; Fukui function

刊名：Journal of Molecular Structure

出版年：2017

3.Authenticity of roasted coffee using¹H NMR spectroscopy

作者：Marcos Viní ; cius de Moura Ribeiro^a ; Nivaldo Boralle^a ; Helena Redigolo Pezza^a ; Leonardo Pezza^a ; Aline Theodoro Toci^b ; ^{aline.toci@unila.edu.br} ; ^{alinettoci@iq.unesp.br}

关键词：Adulteration ; Authenticity ; Roasted coffee ; Coffee quality ; Control quality ; 1H NMR ; Food analysis ; Food composition

刊名：Journal of Food Composition and Analysis

出版年：2017

4.Insights into asphaltene aggregate structure using ultrafast MAS solid-state ¹H NMR spectroscopy

作者：R. Dutta Majumdar^a ; ^b ; ¹ ; T. Montina^a ; ^b ; O.C. Mullins^c ; ^{mullins1@slb.com} ; M. Gerken^a ; ^b ; P. Hazendonk^a ; ^b ; ^{paul.hazendonk@uleth.ca}

关键词：Asphaltenes ; Solid-state 1H NMR ; Ultrafast MAS ; Relaxation

刊名：Fuel

出版年：2017

5.¹H NMR and PCA-based analysis revealed variety dependent changes in phenolic contents of apple fruit after drying

作者：Alessandra Francini^a ; Stefania Romeo^a ; Mario Cifelli^b ; Daniele Gori^b ; Valentina Domenici^b ; Luca Sebastiani^a ; ^{luca.sebastiani@sssup.it}

关键词：Quantitative 1H NMR spectroscopy ; Metabolomics ; Total antioxidant capacity ; ORAC ; Polyphenols

刊名：Food Chemistry

出版年：2017

6.Synthesis, crystal structure analysis, spectral (NMR, FT-IR, FT-Raman and UV-Vis) investigations, molecular docking studies, antimicrobial studies and quantum chemical calculations of a novel 4-chloro-8-methoxyquinoline-2(1H)-one: An effective antimicrobial agent and an inhibition of DNA gyrase and lanosterol-14α-demethylase enzymes

作者：S. Murugavel^a ; ^{smurugavel27@gmail.com} ; S. Sundramoorthy^b ; D. Lakshmanan^c ; R. Subashini^d ; P. Pavan Kumar^e

关键词：4-chloro-8-methoxyquinoline-2(1H)-one ; XRD ; Spectral ; DFT ; Antimicrobial activity ; Molecular docking

刊名：Journal of Molecular Structure

出版年：2017

7.Sudan dyes in adulterated saffron (Crocus sativus L.): Identification and quantification by ¹H NMR

作者：Eleftherios A. Petrakis^a ; Laura R. Cagliani^b ; Petros A. Tarantilis^a ; Moschos G. Polissiou^a ; Roberto Consonni^b ; ^{roberto.consonni@ismac.cnr.it" class="auth_mail" title="E-mail the corresponding author}

关键词：Saffron ; Quality control ; Sudan dyes ; 1H and 13C NMR ; qHNMR ; Adulteration

刊名：Food Chemistry

出版年：2017

8.Kinetics and thermodynamics of oxidation mediated reaction in l-cysteine and its methyl and ethyl esters in dimethyl sulfoxide-d₆ by NMR spectroscopy

作者：Ryan J. Dougherty^a ; ¹ ; Jaideep Singh^a ; V.V. Krishnan^a ; ^b ; ^{krish@csufresno.edu} ; ^{vvkrishnan@ucdavis.edu}

关键词：NMR ; 1H ; 13C ; Oxidation ; Kinetics ; Solvent effect ; l-cysteine. l-Cysteine methyl ester (L-CysME) and l-Cysteine ethyl ester (L-CysEE) ; Short title

刊名：Journal of Molecular Structure

出版年：2017

9.Thermodynamic and spectroscopic properties of binary mixtures of n-butylammonium butanoate ionic liquid with alcohols at T = (293.15-313.15) K

作者：Samara Storion Bittencourt^a ; Heloisa Emi Hoga^b ; Ricardo Belchior Torres^b ; ^{belchior@fei.edu.br} ; José ; Vicente Hallak d&rsquo ; Angelo^a

关键词：Excess molar volume ; Deviation in isentropic compressibility ; 1H NMR ; 13C NMR and FTIR spectroscopy ; Ionic liquid ; Alcohols

刊名：The Journal of Chemical Thermodynamics

出版年：2017

10.Spectroscopic (FT-IR, FT-Raman, UV, ¹H and ¹³C NMR) profiling and computational studies on methyl 5-methoxy-1H-indole-2-carboxylate: A potential precursor to biologically active molecules

作者：Maha S. Almutairi^a ; S. Xavier^b ; ^c ; M. Sathish^b ; ^d ; Hazem A. Ghabbour^a ; ^e ; S. Sebastian^b ; S. Periandy^f ; Reem I. Al-Wabli^a ; Mohamed I. Attia^a ; ^g ;

关键词：5-Methoxyindole ; FT-IR ; FT-Raman ; HOMO-LUMO ; NLO

刊名：Journal of Molecular Structure

出版年：2017

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