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在“Elsevier电子期刊”中，命中：330条，耗时：0.162921 秒

在所有数据库中总计命中：4,478条

1.One-pot reaction for the preparation of biofunctionalized self-assembled monolayers on gold surfaces

作者：Annette F. Raigoza¹ ; Whitney Fies ; Amber Lim ; Kristeen Onyirioha ; Lauren J. Webb ; ^{lwebb@cm.utexas.edu}

关键词：Protein surface functionalization ; Self-assembled monolayers ; Huisgen cycloaddition &ldquo ; click&rdquo ; chemistry ; Surface spectroscopy ; Biomolecular surface structure

刊名：Applied Surface Science

出版年：2017

2.Understanding the conformational changes and molecular structure of furoyl thioureas upon substitution

作者：Raú ; l Ramos Cairo^a ; Ana Marí ; a Plutí ; n Stevens^a ; ^{anap@quimica.uh.cu} ; Tamires Donizeth de Oliveira^b ; Alzir A. Batista^b ; Eduardo E. Castellano^c ; Julio Duque^d ; Delia B. Soria^e ; Adolfo C. Fantoni^f ; Rodrigo S. Corrê ; a^g ; Mauricio F. Erben^e ; ^{erben@quimica.unlp.edu.ar}

关键词：Thiourea derivatives ; Molecular conformation ; Single crystal structure determination ; Vibrational spectroscopy ; Hirshfeld surface analysis ; Topological study

刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

出版年：2017

3.Spectroscopic, single crystal X-ray, Hirshfeld, in vitro and in silico biological evaluation of a new series of potent thiazole nucleus integrated with pyrazoline scaffolds

作者：Vinutha V. Salian^a ; Badiadka Narayana^a ; ^{nbadiadka@yahoo.co.uk} ; Balladka K. Sarojini^b ; Madan S. Kumar^c ; Govinahalli S. Nagananda^d ; Kullaiah Byrappa^e ; Avinash K. Kudva^f

关键词：Thiazoles ; FTIR ; NMR ; Crystal structure ; Hirshfeld surfaces ; Molecular docking

刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

出版年：2017

4.Effects of gene carrier polyethyleneimines on the structure and binding capability of bovine serum albumin

作者：Zhiyong Guo ; Zhijie Kong ; Yanshan Wei ; Hua Li ; Yajing Wang ; Aimin Huang ; Lin Ma ; ^{malinzju@163.com} ; ^{malin_gxu@163.com}

关键词：Polyethyleneimine ; Bovine serum albumin ; Conformation ; Interaction ; Binding

刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

出版年：2017

5.Vibrational monitor of early demineralization in tooth enamel after in vitro exposure to phosphoridic liquid

作者：Giuseppe Pezzotti^a ; ^b ; ^{pezzotti@kit.ac.jp} ; Tetsuya Adachi^c ; Isabella Gasparutti^a ; ^d ; Giulio Vincini^a ; ^e ; Wenliang Zhu^f ; Marco Boffelli^a ; Alfredo Rondinella^a ; ^d ; Elia Marin^a ; Hiroaki Ichioka^c ; Toshiro Yamamoto^c ; Yoshinori Marunaka^b ; ^g ; Narisato Kanamura^c

关键词：Tooth ; Demineralization ; Raman spectroscopy

刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

出版年：2017

6.Crystal structure, Hirshfeld surfaces and DFT computation of NLO active (2E)-2-(ethoxycarbonyl)-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino] prop-2-enoic acid

作者：Perumal Venkatesan^a ; Subbiah Thamotharan^b ; ^{thamu@scbt.sastra.edu" class="auth_mail" title="E-mail the corresponding author} ; Andivelu Ilangovan^a ; ^{ilangovanbdu@yahoo.com" class="auth_mail" title="E-mail the corresponding author} ; Hongze Liang^c ; Tom Sundius^d

关键词：Second Harmonic Generation ; Malonic acid half-ester ; Hirshfeld surface ; Polarizability ; First order hyperpolarizability ; PIXEL

刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

出版年：2016

7.Complexation of different transition metals with 4,4′-dimethyl-2,2′-bipyridine: Crystal structure, UV spectra and Hirshfeld surfaces

作者：Li-Jing Yang ; Qing-Ling Liu ; Ming-Xin Wang ; Lian-Shuai Gu ; Yang-Hui Luo ; Bai-Wang Sun ^{chmsunbw@seu.edu.cn" class="auth_mail" title="E-mail the corresponding author}

关键词：Crystal structure ; Hirshfeld surface ; UV spectra ; DFT calculations

刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

出版年：2016

8.Molecular structure, natural bond analysis, vibrational and electronic spectra, surface enhanced Raman scattering and Mulliken atomic charges of the normal modes of [Mn(DDTC)₂] complex

作者：Claudio A. Té ; llez S.^a ; ^{cayotellez@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; Anilton C. Costa Jr.^b ; M.A. Mondragó ; n^c ; Glaucio B. Ferreira^d ; O. Versiane^b ; J.L. Rangel^a ; G. Mü ; ller Lima^a ; A.A. Martin^a

关键词：Bis(diethyldithiocarbamate)Mn(II) complex ; FT-Infrared and Raman spectra ; DFT method ; NBO analysis ; UV&ndash ; vis spectrum ; SERS effect

刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

出版年：2016

9.Structural characterization of twisted gastrulation provides insights into opposing functions on the BMP signalling pathway

作者：Helen Troilo^a ; Anne L. Barrett^a ; Alexandra V. Zuk^b ; Michael P. Lockhart-Cairns^a ; ^c ; Alexander P. Wohl^b ; Christopher P. Bayley^a ; Rana Dajani^a ; Richard B. Tunnicliffe^a ; Lewis Green^a ; Thomas A. Jowitt^a ; Gerhard Sengle^b ; ^d ; Clair Baldock^a ; ^{clair.baldock@manchester.ac.uk" class="auth_mail" title="E-mail the corresponding author}

关键词：Tsg ; twisted gastrulation ; BMP ; bone morphogenetic protein ; mTld ; mammalian tolloid ; Rg ; radius of gyration ; SAXS ; small-angle X-ray scattering ; AUC ; analytical ultracentrifugation ; MALS ; multi-angle light scattering ; vWC ; von Willebrand Factor C ; SPR ; surface plasmon resonance ; MST ; microscale thermophoresis

刊名：Matrix Biology

出版年：2016

10.Molecular structure and vibrational spectroscopic studies of prothionamide by density functional theory

作者：A. Yilmaz ; ^{ayberk@istanbul.edu.tr" class="auth_mail" title="E-mail the corresponding author} ; O. Bolukbasi

关键词：DFT calculations ; Prothionamide ; Potential energy surface map ; NBO ; Vibrational spectra ; ELF

刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

出版年：2016

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