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Elsevier电子期刊(131)

在“Elsevier电子期刊”中，命中：131条，耗时：0.0679653 秒

在所有数据库中总计命中：255条

1.Electrostatic potential map modelling with COSY Infinity

作者：J.A. Maloney ; ^{maloneyja@triumf.ca" class="auth_mail" title="E-mail the corresponding author} ; R. Baartman ; T. Planche ; S. Saminathan

关键词：Electrostatic ; Optics ; COSY ; Potential

刊名：Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

出版年：2016

2.Synthesis and structure of new 1-cyanoacetyl-4-arylsemicarbazide derivatives with potential anticancer activity

作者：Monika Pitucha^a ; ^{monika.pitucha@umlub.pl" class="auth_mail" title="E-mail the corresponding author} ; Karolina Sobotka-Polska^a ; Radosław Keller^b ; Anna Pachuta-Stec^a ; Ewaryst Mendyk^b ; Agnieszka A. Kaczor^c ; ^d ; ^{agnieszka.kaczor@umlub.pl" class="auth_mail" title="E-mail the corresponding author}

关键词：Semicarbazide ; Spectroscopy ; Tautomerism ; Quantum chemical calculations

刊名：Journal of Molecular Structure

出版年：2016

3.Evaluation of cytotoxic effect of the combination of a pyridinyl carboxamide derivative and oxaliplatin on NCI-H1299 human non-small cell lung carcinoma cells

作者：Sarah Fernandes Teixeira^a ; Ricardo Alexandre de Azevedo^b ; Arthur Carvalho Silva^c ; Rodolpho Campos Braga^c ; Salomã ; o Dó ; ria Jorge^b ; José ; Alexandre Marzagã ; o Barbuto^b ; Carolina Horta Andrade^c ; Dr. Adilson Kleber Ferreira^b ; ^{ferreira-kleber@usp.br}

关键词：NSCLC ; Non-small cell lung cancer ; VS ; virtual screening ; EGFR ; epidermal growth factor receptor ; ALK ; anaplastic lymphoma kinase ; FDA ; Food and Drug Administration ; PBS ; phosphate buffered saline ; DMSO ; dimethyl sulfoxide ; MTT ; 3-[4 ; 5-dimethylthiazol-2-yl]-2 ; 5-diphenyltetrazolium bromide ; PI ; Propidium Iodide ; FBS ; fetal bovine serum ; CI ; combination index ; MEP ; molecular electrostatic potential maps ; HOMO ; highest occupied molecular orbital ; LUMO ; lowest unoccupied molecular orbital ; ClogP ; ca

刊名：Biomedicine & Pharmacotherapy

出版年：2016

4.Energetic insights on two dye key molecules: N-methylphenothiazine and N-methylphenoxazine

作者：Tâ ; nia S.M. Oliveira ; Vera L.S. Freitas ; ^{vera.freitas@fc.up.pt" class="auth_mail" title="E-mail the corresponding author} ; M.D.M.C. Ribeiro da Silva

关键词：Gas-phase enthalpy of formation ; Vapour pressures ; Correlation schemes for amino compounds ; HOMO and LUMO ; Electrostatic potential energy maps ; Methyl hydrogen atoms

刊名：Journal of Chemical Thermodynamics

出版年：2016

5.Experimental and theoretical investigation on the structural characterization and orientation preferences of 2-hydroxy-1-naphthoic acid/β-cyclodextrin host-guest inclusion complex

作者：K. Sivakumar^a ; ^{chemshiva@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; T.R. Ragi^a ; D. Prema^b ; ^c ; T. Stalin^d

关键词：β-Cyclodextrin ; 2-Hydroxy-1-naphthoic acid ; Orientation preference of guest ; HOMO-LUMO ; Electrostatic potential maps

刊名：Journal of Molecular Liquids

出版年：2016

6.Polymorphism and disorder in natural active ingredients. Low and high-temperature phases of anhydrous caffeine: Spectroscopic (¹H-¹⁴N NMR-NQR/¹⁴N NQR) and solid-state computational modelling (DFT/QTAIM/RDS) study

作者：Janez Seliger^a ; ^b ; Veselko Žagar^a ; Tomaž Apih^a ; Alan Gregorovič^a ; Magdalena Latosińska^c ; Grzegorz Andrzej Olejniczak^c ; Jolanta Natalia Latosińska^c ; ^{Jolanta.Latosinska@amu.edu.pl" class="auth_mail" title="E-mail the corresponding author}

关键词：Natural active ingredient ; Polymorphism ; Structural and dynamical disorder ; Composition of two phases ; Magnetic resonances ; Solid-state computational modelling ; Biological activity of caffeine

刊名：European Journal of Pharmaceutical Sciences

出版年：2016

7.Influence of methoxy-substituents on the strength of Br ^… Br type II halogen bonds in bromobenzoic acid

作者：Pablo A. Raffo^a ; Juan P. Marcolongo^a ; Alejandro V. Funes^a ; Leonardo D. Slep^a ; Ricardo F. Baggio^b ; Fabio D. Cukiernik^a ; ^{fabioc@qi.fcen.uba.ar" class="auth_mail" title="E-mail the corresponding author}

关键词：Alkoxy-substituted benzoic acids ; Rationalization of packing modes ; Halogen bonds ; Type II Br &hellip ; Br contact

刊名：Journal of Molecular Structure

出版年：2016

8.Annular dark field transmission electron microscopy for protein structure determination

作者：Philip J.B. Koeck ^{Philip.Koeck@ki.se" class="auth_mail" title="E-mail the corresponding author}

关键词：TEM ; transmission electron microscopy/microscope ; STEM ; scanning transmission electron microscopy/microscope ; ADF ; annular dark field ; SNR ; signal to noise ratio ; 3D ; three-dimensional ; POA ; phase object approximation

刊名：Ultramicroscopy

出版年：2016

9.Infrared, Raman and ultraviolet with circular dichroism analysis and theoretical calculations of tedizolid

作者：Katarzyna Michalska^a ; Mikołaj Mizera^b ; Kornelia Lewandowska^c ; Judyta Cielecka-Piontek^b ; ^{jpiontek@ump.edu.pl" class="auth_mail" title="E-mail the corresponding author}

关键词：Tedizolid ; Identication ; Enantiomeric purity ; FT-IR ; Raman ; UV-CD ; HOMO-LUMO ; MEP

刊名：Journal of Molecular Structure

出版年：2016

10.Syntheses, structural and thermal studies on Zn(II) complexes of 5-aryl-1,3,4-oxadiazole-2-thione and dithiocarbamates: Antibacterial activity and DFT calculations

作者：M.K. Bharty^a ; ^{mkbharty@bhu.ac.in" class="auth_mail" title="E-mail the corresponding author} ; R.K. Dani^a ; P. Nath^a ; A. Bharti^a ; N.K. Singh^a ; Om Prakash^b ; Ranjan K. Singh^b ; R.J. Butcher^c

关键词：Oxadiazole and dithiocarbamato complexes ; Mixed ligand zinc(II) complexes ; Thermogravimetry ; DFT calculations ; Antibacterial activity

刊名：Polyhedron

出版年：2015

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