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在“Elsevier电子期刊”中，命中：1,173条，耗时：0.022975 秒

在所有数据库中总计命中：2,780条

1.A mathematic model for proton affinity of organic molecules: Effect of size, chain length and nature of surrounding groups on the proton affinity of a site

作者：Younes Valadbeigi ; ^{y.valadbeigi@ch.iut.ac.ir" class="auth_mail" title="E-mail the corresponding author}

关键词：Proton affinity ; Steric hindrance ; Alkyl chain length ; Mathematic model

刊名：International Journal of Mass Spectrometry

出版年：2016

2.Spectroscopic and TD-DFT studies on the dual mode fluorescent chemosensors based on pyrene thiosemicarbazones, and its application as molecular-scale logic devices

作者：Sabeel M. Basheer^a ; Anthony C. Willis^b ; Anandaram Sreekanth^a ; ^{sreekanth@nitt.edu}

关键词：Logic GATE ; PET ; fluorescence ; TD-DFT ; Thiosemicarbazone

刊名：Journal of Luminescence

出版年：2017

3.Proton affinities of hydrated molecules

作者：Younes Valadbeigi ^{y.valadbeigi@ch.iut.ac.ir" class="auth_mail" title="E-mail the corresponding author}

关键词：Proton affinity ; Hydration ; Enthalpy of hydration ; Correlation

刊名：Chemical Physics Letters

出版年：2016

4.Copper binding to soil fulvic and humic acids: NICA-Donnan modeling and conditional affinity spectra

作者：Jinling Xu^a ; Wenfeng Tan^a ; ^b ; Juan Xiong^b ; Mingxia Wang^b ; Linchuan Fang^a ; ^{flinc629@hotmail.com" class="auth_mail" title="E-mail the corresponding author} ; Luuk K. Koopal^b ; ^c

关键词：Humic substance ; Humic acid ; Fulvic acid ; Cu binding ; NICA-Donnan model ; Speciation ; Conditional affinity spectrum (CAS)

刊名：Journal of Colloid and Interface Science

出版年：2016

5.Tautomeric transformation of temozolomide, their proton affinities and chemical reactivities: A theoretical approach

作者：Wichien Sang-aroon^a ; ^b ; ^{wichien.sa@rmuti.ac.th" class="auth_mail" title="E-mail the corresponding author} ; Vithaya Ruangpornvisuti^c ; Vittaya Amornkitbamrung^b ; ^d ; ^{vittaya@kku.ac.th" class="auth_mail" title="E-mail the corresponding author}

关键词：Temozolomide isomers ; Reaction energy ; Thermodynamic properties ; Rate constants ; Proton affinity ; Chemical reactivity

刊名：Journal of Molecular Graphics and Modelling

出版年：2016

6.Apomorphine and its esters: Differences in Caco-2 cell permeability and chylomicron affinity

关键词：ANOVA ; analysis of variance ; CHARMM ; chemistry at Harvard Macromolecular Mechanics ; CM ; chylomicron ; DLA ; dilauroyl apomorphine ; DPA ; dipalmitoyl apomorphine ; HBSS ; Hank&rsquo ; s buffered salt solution ; HEPES ; N-[2-hydroxyethyl]piperazine-N&prime ; -[2-ethanosulfonate] ; 1H-NMR ; proton nuclear magnetic resonance ; HPLC ; high performance liquid chromatography ; LC/MS ; liquid chromatography-mass spectrometry ; LOD ; Limit of detection ; LOQ ; Limit of quantification ; MD ; molecular dynamics ; MES ; 2-(N-morpho

刊名：International Journal of Pharmaceutics

出版年：2016

7.Copper and protons directly activate the zinc-activated channel

作者：Sarah M. Trattnig^a ; ^b ; ^{sarahmaria.trattnig@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; Agnes Gasiorek^a ; ^b ; ^{agnes.gasiorek@sund.ku.dk" class="auth_mail" title="E-mail the corresponding author} ; Tarek Z. Deeb^a ; ^{Tarek.Deeb@tufts.edu" class="auth_mail" title="E-mail the corresponding author} ; Eydith J. Comenencia Ortiz^a ; ^{eydith@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; Stephen J. Moss^a ; ^{Stephen.Moss@tufts.edu" class="auth_mail" title="E-mail the corresponding author} ; Anders A. Jensen^b ; ^{aaj@sund.ku.dk" class="auth_mail" title="E-mail the corresponding author} ; Paul A. Davies^a ; ^{paul.davies@tufts.edu" class="auth_mail" title="E-mail the corresponding author}

关键词：ZAC ; zinc-activated channel ; LGIC ; ligand-gated ion channel ; nACh ; nicotinic acetylcholine ; 5-HT ; 5-hydroxytryptamine ; GFP ; green fluorescent protein ; MOPS ; 10 3-(N-morpholino)propanesulfonic acid ; CTR1 ; high affinity copper uptake protein 1 ; GLIC ; Gloeobacter violaceus pentameric ligand-gated ion channel ; ATP7A ; ATPase ; Cu2+ transporting ; alpha polypeptide ; ATP7B ; ATPase ; Cu2+ transporting ; beta polypeptide

刊名：Biochemical Pharmacology

出版年：2016

8.A mononuclear non-heme-iron dioxygen-carrying protein?

作者：Amr A.A. Attia ; ^{amrattia@chem.ubbcluj.ro" class="auth_mail" title="E-mail the corresponding author} ; Radu Silaghi-Dumitrescu ; ^{rsilaghi@chem.ubbcluj.ro" class="auth_mail" title="E-mail the corresponding author}

关键词：Non-heme iron ; Dioxygen carriers ; DFT ; Hemerythrin ; Proton affinity

刊名：Journal of Molecular Graphics and Modelling

出版年：2016

9.Platinum based radiochemotherapies: Free radical mechanisms and radiotherapy sensitizers

作者：Clifford W. Fong ^{cwfong@internode.on.net" class="auth_mail" title="E-mail the corresponding author}

关键词：AEA ; adiabatic electron affinity ; 5FU ; 5-fluorocil ; G ; Guanine ; HOMO ; highest occupied molecular orbital ; LUMO ; lowest unoccupied molecular orbital ; ET ; electron transfer ; DET ; dissociative electron transfer ; PCET ; proton coupled electron transfer ; NAPCET ; nucleophilic assisted proton coupled electron transfer ; TS ; transition state ; ΔG&Dagger ; free energy of activation ; ΔH&Dagger ; enthalpy of activation ; ΔS&Dagger ; entropy of activation ; FOLFOX ; oxaliplatin+5-fluorocil+folinic acid combinatio

刊名：Free Radical Biology and Medicine

出版年：2016

10.Theoretical study of the mechanism of an interfacial oxygen reduction reaction in the presence of a hydrazone ligand, its cobalt (II) complex and their conjugate acids as catalyst

作者：Fatemeh Soleymani-Bonoti ; Mohammad Ali Kamyabi ; ^{kamyabi@znu.ac.ir" class="auth_mail" title="E-mail the corresponding author} ; Nematollah Arshadi ; ^{narshadi@znu.ac.ir" class="auth_mail" title="E-mail the corresponding author}

关键词：Density functional theory ; Interfacial oxygen reduction ; Proton bound complex ; Catalyst ; Mechanism

刊名：Computational and Theoretical Chemistry

出版年：2016

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