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在“Elsevier电子期刊”中，命中：807条，耗时：0.0399716 秒

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1.Electro-optical, nonlinear and charge transfer properties of naphthalene based compounds: A dual approach study

作者：Ahmad Irfan^a ; ^b ; ^{irfaahmad@gmail.com} ; Abul Kalam^a ; ^b ; Aijaz Rasool Chaudhry^b ; ^c ; Abdullah G. Al-Sehemi^a ; ^b ; Shabbir Muhammad^b ; ^c

关键词：Synthesis ; Crystal structure ; Density functional theory ; Electronic properties ; Charge transfer ; Optoelectronic properties

刊名：Optik - International Journal for Light and Electron Optics

出版年：2017

2.Array-based functional peptide screening and characterization of gold nanoparticle synthesis

作者：Masayoshi Tanaka^a ; ^b ; Shun Hikiba^a ; Kiyoto Yamashita^a ; Masaki Muto^a ; ^b ; Mina Okochi^a ; ^b ; ^{okochi.m.aa@m.titech.ac.jp}

关键词：AuNP ; gold nanoparticle ; SH ; sulfhydryl ; AuP ; AuNP binding peptides screened with a peptide array ; GRAVY ; grand average of hydropathy ; SEM ; scanning electron microscope ; SPR ; surface plasmon resonance ; TEM ; transmission electron microscopy

刊名：Acta Biomaterialia

出版年：2017

3.Electrochemical and DFT study of the reduction of substituted phenanthrolines

作者：Hendrik Ferreira ; Marrigje M. Conradie ; Karel G. von Eschwege ; Jeanet Conradie ; ^{conradj@ufs.ac.za}

关键词：Phenanthroline ; Reduction potential ; Cyclic voltammetry ; DFT ; Exp-DFT relationships

刊名：Polyhedron

出版年：2017

4.Equilibrium Electron Affinities of Menaquinol Oxidase from Bacillus subtilis. The Redox Potential of the Donor is Reflected in the Distribution of Potentials in the Oxidase

刊名：Biophysical Journal

出版年：2017

5.Linking Chromatin Fibers to Gene Folding by Hierarchical Looping

作者：Gavin Bascom¹ ; Tamar Schlick¹ ; ² ; ³ ; ^{schlick@nyu.edu}

刊名：Biophysical Journal

出版年：2017

6.Electron affinity of GaN(0001) surface doped with Al, Mg

作者：Yan-jun Ji^a ; Yu-jie Du^a ; ^b ; ^{duyujie442@163.com" class="auth_mail" title="E-mail the corresponding author} ; Mei-shan Wang^c

关键词：First-principles ; Electronic structure ; Work function ; Electron affinity

刊名：Optik - International Journal for Light and Electron Optics

出版年：2016

7.Electron affinities of [5,6]-open and [5,6]-closed adducts of trifluoromethylfullerene C_s-C₇₀(CF₃)₈: even one bond matters!

作者：Alexey V. Rybalchenko ; Marina G. Apenova ; Olesya O. Semivrazhskaya ; Nikita M. Belov ; Vitaliy Yu. Markov ; Sergey I. Troyanov ; Ilya N. Ioffe ; Natalia S. Lukonina ; Lev N. Sidorov ; Tatiana V. Magdesieva ; ¹ ; ^{tvm@org.chem.msu.ru" class="auth_mail" title="E-mail the corresponding author} ; Alexey A. Goryunkov ; ^{aag@thermo.chem.msu.ru" class="auth_mail" title="E-mail the corresponding author}

关键词：methylenated fullerene ; electrochemically promoted switching ; cyclic voltammetry ; DFT calculations ; skeletal transformation

刊名：Electrochimica Acta

出版年：2016

8.Comment on “A new equation based on ionization energies and electron affinities of atoms for calculating of group electronegativity‿by S. Kaya and C. Kaya [Comput. Theoret. Chem. 1052 (2015) 42-46]

作者：Lá ; szló ; von Szentpá ; ly ^{lszentpaly@yahoo.com" class="auth_mail" title="E-mail the corresponding author}

关键词：Group electronegativity ; Electronegativity equalization ; Wigner&ndash ; Witmer symmetry rules ; Valence-pair affinity ; Conceptual DFT principles

刊名：Computational and Theoretical Chemistry

出版年：2016

9.Structural Change in the Dynein Stalk Region Associated with Two Different Affinities for the Microtubule

作者：Yosuke Nishikawa¹ ; Momoko Inatomi¹ ; Haruka Iwasaki¹ ; Genji Kurisu¹ ; ² ; ^{gkurisu@protein.osaka-u.ac.jp" class="auth_mail" title="E-mail the corresponding author}

关键词：EM ; electron microscopy ; cryo-TEM ; cryo-transmission electron microscopy ; MD ; molecular dynamics

刊名：Journal of Molecular Biology

出版年：2016

10.Prediction of binding modes and affinities of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide inhibitors to the carbonic anhydrase receptor by docking and ONIOM calculations

作者：Pabitra Narayan Samanta ; Kalyan Kumar Das ; ^{kkdas@chemistry.jdvu.ac.in" class="auth_mail" title="E-mail the corresponding author}

关键词：Molecular docking ; QM/MM ; Human carbonic anhydrase II ; Inhibitor potency ; NBO ; Electron density map

刊名：Journal of Molecular Graphics and Modelling

出版年：2016

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