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在“Elsevier电子期刊”中，命中：6,608条，耗时：0.0789634 秒

在所有数据库中总计命中：16,635条

1.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

2.Identification and classification of textile fibres using ATR-FT-IR spectroscopy with chemometric methods

作者：Pilleriin Peets^a ; Ivo Leito^a ; Jaan Pelt^b ; Signe Vahur^a ; ^{signe.vahur@ut.ee}

关键词：ATR-FT-IR spectroscopy ; Textiles ; Fibres ; Principal component analysis ; Discriminant analysis ; Classification

刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

出版年：2017

3.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

4.Chemical profiling and adulteration screening of Aquilariae Lignum Resinatum by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation infrared (2D-IR) spectroscopy

作者：Lei Qu^a ; ¹ ; Jian-bo Chen^b ; ¹ ; Gui-Jun Zhang^a ; ; Su-qin Sun^c ; ^{sunsq@tsinghua.edu.cn} ; Jing Zheng^a

关键词：Aquilariae Lignum Resinatum ; Fourier transform infrared spectroscopy ; Second derivative infrared spectroscopy ; Two-dimensional correlation infrared spectroscopy ; Correlation coefficient ; Adulteration screening

刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

出版年：2017

5.Molecular structure, spectroscopic (FT-IR, FT Raman, UV, NMR and THz) investigation and hyperpolarizability studies of 3-(2-Chloro-6-fluorophenyl)-1-(2-thienyl) prop-2-en-1-one

作者：Rajesh Kumar^a ; ^b ; Amit Kumar^a ; ^b ; Vipin Deval^b ; Archana Gupta^b ; ^{drarchana.physics@gmail.com} ; Poonam Tandon^a ; P.S. Patil^c ; Prathmesh Deshmukh^d ; Deepika Chaturvedi^e ; J.G. Watve^f

关键词：3-(2-Chloro-6-fluorophenyl)-1-(2-thienyl) prop-2-en-1-one ; Nonlinear optical material ; Vibrational analysis ; Hyperpolarizability ; Tera hertz spectroscopy

刊名：Journal of Molecular Structure

出版年：2017

6.Structural insights, protein-ligand interactions and spectroscopic characterization of isoformononetin

作者：Anubha Srivastava^a ; ^{anubhaphysics@gmail.com} ; ^{anubha1984@rediffmail.com} ; Harshita Singh^a ; Rashmi Mishra^b ; Kapil Dev^c ; Poonam Tandon^a ; ^{poonam_tandon@yahoo.co.uk} ; ^{poonam_tandon@hotmail.com} ; Rakesh Maurya^c

关键词：Isofomononetin ; FT-Raman ; FT-IR ; NMR ; UV&ndash ; vis spectra ; Molecular docking

刊名：Journal of Molecular Structure

出版年：2017

7.Intramolecular hydrogen bonding in myricetin and myricitrin. Quantum chemical calculations and vibrational spectroscopy

作者：Danijela Vojta^a ; ^{dvojta@irb.hr} ; Katarina Dominković^b ; Snežana Miljanić^c ; Jens Spanget-Larsen^d ; ^{spanget@ruc.dk}

关键词：Myricetin ; Myricitrin ; Density functional theory (DFT) calculations ; FT-IR and FT-Raman spectra ; OH stretching frequencies ; Intramolecular hydrogen bonding

刊名：Journal of Molecular Structure

出版年：2017

8.Anticancer, antimicrobial, spectral, voltammetric and DFT studies with Cu(II) complexes of 2-hydroxy-5-methoxyacetophenone thiosemicarbazone and its N(4)- substituted derivatives

作者：Ercan Tü ; rkkan^a ; Ulku Sayin^b ; ^c ; Nesibe Erbilen^d ; Suray Pehlivanoglu^e ; Gokce Erdogan^f ; Halil Ugur Tasdemir^a ; Ahmet Ozgur Saf^d ; Leyla Guler^g ; Emine Guler Akgemci^d ; ^{egakgemci@gmail.com}

关键词：Thiosemicarbazone ; Copper(II) complexes ; EPR ; FT-IR ; Cyclic voltammetry ; Antimicrobial and anticancer activity ; DFT

刊名：Journal of Organometallic Chemistry

出版年：2017

9.Dioxidomolybdenum(VI) complexes of tridentate ONO donor aroylhydrazones: Syntheses, spectral and structural characterization

作者：A. Ambili Aravindakshan^a ; Bibitha Joseph^a ; U.L. Kala^b ; M.R. Prathapachandra Kurup^a ; ^{mrpcusat@gmail.com} ; ^{mrp_k@yahoo.com}

关键词：Aroylhydrazones ; Dioxidomolybdenum(VI) complexes ; Heterocyclic bases ; IR spectra ; Crystal structures

刊名：Polyhedron

出版年：2017

10.Study of vibrational spectra and hydrogen bonding network in dimeric and tetrameric model of ampicillin using DFT and AIM approach

作者：Anuradha Shukla ; Eram Khan ; Poonam Tandon ; ^{poonam_tandon@yahoo.co.uk} ; Kirti Sinha

关键词：Ampicillin ; DFT methods ; NBO analysis ; Hydrogen bonding ; Chemical reactivity ; Spectral analysis

刊名：Journal of Molecular Structure

出版年：2017

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