Electron binding energies and the fundamental gap of a push-pull dye in a polar environment: p-nitroaniline in liquid water (English)
- New search for: Cabral, Benedito J.C
- New search for: Cabral, Benedito J.C
In:
Chemical physics letters
;
667
; 332-336
;
2017
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ISSN:
- Article (Journal) / Print
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Title:Electron binding energies and the fundamental gap of a push-pull dye in a polar environment: p-nitroaniline in liquid water
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Contributors:Cabral, Benedito J.C ( author )
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Published in:Chemical physics letters ; 667 ; 332-336
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Publisher:
- New search for: North-Holland Publ. Co.
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Place of publication:Amsterdam
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Publication date:2017
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ISSN:
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ZDBID:
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DOI:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 35.10
- Further information on Basic classification
- New search for: 535/3610
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Source:
Table of contents – Volume 667
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
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Estimation of some physical properties for tennessine and tennessine hydride (TsH)de Farias, Robson Fernandes et al. | 2016
- 4
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Reaction between the Pt(II)-complexes and the amino acids of the β-amyloid peptideNovato, Willian T.G. / Stroppa, Pedro Henrique F. / Da Silva, Adilson D. / Botezine, Naiara P. / Machado, Flávia C. / Costa, Luiz Antônio S. / Dos Santos, Hélio F. et al. | 2016
- 9
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Structure and optical properties of KLa9(GeO4)6O2 and KLa8.37Eu0.63(GeO4)6O2Lipina, Olga A. / Surat, Ludmila L. / Tyutyunnik, Alexander P. / Enyashin, Andrey N. / Chufarov, Alexander Yu. / Zubkov, Vladimir G. et al. | 2016
- 15
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Modulation of organic interfacial spin polarization by interfacial angleZhang, Zhao / Li, Ying / Zhang, Guang-ping / Ren, Jun-feng / Wang, Chuan-kui / Hu, Gui-chao et al. | 2016
- 20
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Fabrication of “petal effect” surfaces by femtosecond laser-induced forward transferLi, Hong-Jin / Fan, Wen-Zhong / Pan, Huai-Hai / Wang, Cheng-Wei / Qian, Jing / Zhao, Quan-Zhong et al. | 2016
- 25
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A stress tensor eigenvector projection space for the (H2O)5 potential energy surfaceXu, Tianlv / Farrell, James / Momen, Roya / Azizi, Alireza / Kirk, Steven R. / Jenkins, Samantha / Wales, David J. et al. | 2016
- 32
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Monodisperse and size-tunable CoO nanocrystals synthesized by thermal decomposition and as an active precursor for Fischer-Tropsch synthesisLv, Shuai / Zhao, Xin / Xia, Guofu / Jin, Chao / Wang, Li / Yang, Weimin / Zhang, Yuhua / Li, Jinlin et al. | 2016
- 38
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Alloying of metal nanoparticles by ion-beam induced sputteringMagudapathy, P. / Srivastava, S.K. / Gangopadhyay, P. / Amirthapandian, S. / Saravanan, K. / Das, A. / Panigrahi, B.K. et al. | 2016
- 45
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Electron transfer through organic molecular wires: A theoretical studyLathiotakis, Nektarios N. / Theodorakopoulos, Giannoula / Petsalakis, Ioannis D. et al. | 2016
- 51
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Charge-transfer (CT) orbitals for the one-electron description of CT excitations in a wide range of donor-acceptor separationsGritsenko, O.V. et al. | 2016
- 55
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Vaporization behavior of tetraoctylphosphonium bis(2-ethylhexyl)phosphate ionic liquidMcMurray, J.W. / Zhou, Y. / Luo, H.M. / Qu, J. et al. | 2016
- 62
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Resolving solvophobic interactions inferred from experimental solvation free energies and evaluated from molecular simulationsBarnett, J. Wesley / Bhutta, Amna / Bierbrier, Sarah C. / da Silva Moura, Natalia / Ashbaugh, Henry S. et al. | 2016
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MWCNT/CdS nanobelt based hybrid structures and their enhanced photoelectrical performanceLee, Dong Jin / Ilanchezhiyan, P. / Mohan Kumar, G. / Kwak, Dong Wook / Woo, Yong Deuk / Kim, Deuk Young / Kang, Tae Won et al. | 2016
- 74
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A quantum Monte Carlo study of mono(benzene) TM and bis(benzene) TM systemsBennett, M. Chandler / Kulahlioglu, A.H. / Mitas, L. et al. | 2016
- 79
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Effects of finite laser pulse width on two-dimensional electronic spectroscopyLeng, Xuan / Yue, Shuai / Weng, Yu-Xiang / Song, Kai / Shi, Qiang et al. | 2016
- 87
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Structural flexibility of DABCO. Ab initio and DFT benchmark studyNizovtsev, Anton S. / Ryzhikov, Maxim R. / Kozlova, Svetlana G. et al. | 2016
- 91
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First principle study on water protons interacted with gadolinium oxide and gold nanoclusterXia, Xiuli / Li, Chaorui / Hu, Wenyong / Shao, Yuanzhi et al. | 2016
- 96
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The complex-forming dynamics of Ne+NeH(D)+ (v=0, 1; j=0) reactionsLi, Wenliang et al. | 2016
- 103
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Exploring optical dielectric function of impurity doped quantum dots under combined influence of hydrostatic pressure and temperature and in presence of noiseBera, Aindrila / Ghosh, Manas et al. | 2016
- 108
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Computer simulation of a phosphorescent probe inside -cyclodextrin matricesOdinokov, Alexey / Alfimov, Mikhail et al. | 2016
- 113
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Adatom-induced local reconstructions in zigzag silicene nanoribbons: Spin semiconducting properties and large spin thermopowersYang, X.F. / Zou, X.L. / Kuang, Y.W. / Shao, Z.G. / Zhang, J. / Hong, X.K. / Zhang, D.B. / Feng, J.F. / Chen, X.S. / Liu, Y.S. et al. | 2016
- 120
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Investigation of low frequency electrolytic solution behavior with an accurate electrical impedance methodHo, Kung-Chu / Su, Vin-Cent / Huang, Da-Yo / Lee, Ming-Lun / Chou, Nai-Kuan / Kuan, Chieh-Hsiung et al. | 2016
- 124
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Intermolecular interaction effect on the inelastic electron tunneling spectroscopy of bi-octane-monothiol junctionsLeng, Jiancai / Zhao, Liyun / Zhang, Yujin / Ma, Hong et al. | 2016
- 129
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Colliding the hydrocarbon building blocks of astrochemical polycyclic aromatic hydrocarbons with 8keV and ions: Luminescence from methane, acetylene, benzene and naphthaleneRashid, Shaan / Sit, Alicia / West, Brandi / Mayer, Paul M. et al. | 2016
- 137
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Thiacalix[4]arene functionalized gold nano-assembly for recognition of isoleucine in aqueous solution and its antioxidant studyDarjee, Savan M. / Bhatt, Keyur / Kongor, Anita / Panchal, Manthan K. / Jain, Vinod K. et al. | 2016
- 146
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Subtle differences in the hydrogen bonding of alcohol to divalent oxygen and sulfurDu, Lin / Tang, Shanshan / Hansen, Anne S. / Frandsen, Benjamin N. / Maroun, Zeina / Kjaergaard, Henrik G. et al. | 2016
- 154
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Rotational study of the bimolecule acetic acid-fluoroacetic acidFeng, Gang / Gou, Qian / Evangelisti, Luca / Caminati, Walther et al. | 2016
- 158
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Machine learning prediction for classification of outcomes in local minimisationDas, Ritankar / Wales, David J. et al. | 2016
- 165
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Synthesis and structural characterization of ZnO and CuO nanoparticles supported mesoporous silica SBA-15El-Nahhal, Issa M. / Salem, Jamil K. / Selmane, Mohamed / Kodeh, Fawzi S. / Ebtihan, Heba A. et al. | 2016
- 172
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An automated and efficient conformational search of glycine and a glycine-water heterodimer both in vacuum and in aqueous solutionKishimoto, Naoki et al. | 2016
- 180
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Quasiclassical trajectory and wave packet calculations for D+CaCl(X2Σ+; vi=0, ji=0)→DCl+Ca(1S) reactionTan, Rui Shan / Yan, Wei / Lin, Shi Ying et al. | 2016
- 187
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A generalized model on the evaluation of entropy and entropy of mixing of liquid Na-Sn alloysSatpathy, Alok / Sengupta, Saumendu et al. | 2016
- 192
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The Co(II), Ni(II) and Cu(II) complexes with herbicide 2,4-dichlorophenoxyacetic acid – Synthesis and structural studiesDrzewiecka-Antonik, Aleksandra / Ferenc, Wiesława / Wolska, Anna / Klepka, Marcin T. / Cristóvão, Beata / Sarzyński, Jan / Rejmak, Paweł / Osypiuk, Dariusz et al. | 2016
- 199
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Electron transport in HBr adsorbed boron doped carbon nanotubeSrivastava, Reena / Shahzad Khan, Md. / Shrivastava, Sadhna / Srivastava, Anurag et al. | 2016
- 206
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α-NaYF4:Yb3+-Tm3+@CaF2 nanocrystals for NIR-to-NIR temperature sensingWu, Ruozhen / Zhou, Jiajia / Lei, Lei / Zhang, Shengjun / Xiao, Zhen / Zhang, Junjie / Xu, Shiqing et al. | 2016
- 211
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Thermodynamic properties for the lithium dimerJia, Chun-Sheng / Zhang, Lie-Hui / Wang, Chao-Wen et al. | 2016
- 216
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Binding of oxygen with titanium dioxide on singlet potential energy surface: An ab initio investigationBogdanchikov, Georgii A. / Baklanov, Alexey V. et al. | 2016
- 220
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Theoretical pKa prediction of the α-phosphate moiety of uridine 5′-diphosphate-GlcNAcVipperla, Bhavaniprasad / Griffiths, Thomas M. / Wang, Xingyong / Yu, Haibo et al. | 2016
- 226
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Thermal and pump power effect in SrMoO4:Er3+-Yb3+ phosphor for thermometry and optical heatingSoni, Abhishek Kumar / Rai, Vineet Kumar et al. | 2016
- 233
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Electronuclear paths in the nuclear conversion of molecular hydrogen in siliconIlisca, Ernest / Ghiglieno, Filippo et al. | 2016
- 238
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Dissociative photoionization of 1,2-dichloroethane in intense near-infrared femtosecond laser fieldZhang, Jian / Yang, Yan / Li, Zhipeng / Zhang, Shian / Sun, Zhenrong et al. | 2016
- 244
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The differential virial theorem with gradient- and Laplacian-dependent operator formulasFinley, James P. et al. | 2016
- 247
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Heterogeneity in optical properties of near white-light emissive europium complex species revealed by spectroscopy of single nanoaggregatesIrfanullah, Mir / Sharma, Dharmendar Kumar / Chulliyil, Ramya / Layek, Arunasish / De, Suman / Chowdhury, Arindam et al. | 2016
- 254
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A novel D2-A-D1-A-D2-type donor–acceptor conjugated small molecule based on a benzo[1,2-b:4,5-b′]dithiophene core for solution processed organic photovoltaic cellsYu, Junting / Zhu, Weiguo / Tan, Hua / Peng, Qing et al. | 2016
- 260
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Preparation and electrochemical properties of NiO-Co3O4 composite as electrode materials for supercapacitorsWang, X.W. / Zheng, D.L. / Yang, P.Z. / Wang, X.E. / Zhu, Q.Q. / Ma, P.F. / Sun, L.Y. et al. | 2016
- 267
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Activation of N2 by isolated small tungsten clusters at room temperatureSugawara, Ko-ichi / Yamaguchi, Wataru / Shimoi, Yukihiro / Murakami, Junichi et al. | 2016
- 272
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Thermal electron attachment to chlorinated alkenes in the gas phaseWnorowski, K. / Wnorowska, J. / Michalczuk, B. / Jówko, A. / Barszczewska, W. et al. | 2016
- 278
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Quantum-chemical prediction of the effects of Ni-loading on the hydrogenation and water-splitting efficiency of TiO2 nanoparticles with an experimental testLin, Cheng-Kuo / Chuang, Chung-Ching / Raghunath, Putikam / Srinivasadesikan, V. / Wang, T.T. / Lin, M.C. et al. | 2016
- 284
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Understanding the emission pattern produced by focused laser beam excitation of perylene square single crystalsTakazawa, Ken et al. | 2016
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The prospect of sensitizing organic dyes attached to the MoS2 surface: Physical insights from density functional theory investigationsLe, Hung M. / Bui, Viet Q. / Hoang Tran, Phuong / Pham-Tran, Nguyen-Nguyen / Kawazoe, Yoshiyuki / Nguyen-Manh, Duc et al. | 2016
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Correlation between overcharging peculiarities and the solubility of interpolyelectrolyte complexesLyulin, Sergey V. et al. | 2016
- 301
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Quantum half-adder Boolean logic gate with a nano-graphene molecule and graphene nano-electrodesSrivastava, Saurabh / Kino, Hiori / Joachim, Christian et al. | 2016
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Numerical investigation of nanofluid transportation in a curved cavity in existence of magnetic sourceSheikholeslami, Mohsen / Ganji, Davood Domiri et al. | 2016
- 317
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Quantum chemical prediction of vibrational spectra of large molecular systems with radical or metallic electronic structureNishimoto, Yoshio / Irle, Stephan et al. | 2016
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Dynamics of formation of the Exclusion Zone near hydrophilic surfacesDe Ninno, Antonella et al. | 2016
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Theoretical prediction of some novel nanotubes composed of macrocyclic structures: A DFT studyMasoodi, Hamid Reza / Bagheri, Sotoodeh / Ranjbar-Karimi, Reza et al. | 2016
- 332
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Electron binding energies and the fundamental gap of a push-pull dye in a polar environment: p-nitroaniline in liquid waterCabral, Benedito J.C. et al. | 2016
- 337
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An ab initio study on anionic aerogen bondsEsrafili, Mehdi D. / Mohammadian-Sabet, Fariba et al. | 2016
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Ab initio transition dipole moments and potential energy curves for the low-lying electronic states of CaHShayesteh, Alireza / Alavi, S. Fatemeh / Rahman, Moloud / Gharib-Nezhad, Ehsan et al. | 2016
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Facile and low-cost fabrication of Ag-Cu substrates via replacement reaction for highly sensitive SERS applicationsHu, Litao / Liu, Yan Jun / Xu, Shicai / Li, Zhe / Guo, Jia / Gao, Saisai / Lu, Zhengyi / Si, Haipeng / Jiang, Shouzhen / Wang, Shuyun et al. | 2016
- IFC
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Editorial Board| 2016
- iii
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Contents| 2016