Analysis of uric acid adsorption on armchair silicene nanoribbons: a DFT study (English)
- New search for: Tarun, Tarun
- New search for: Randhawa, Deep Kamal Kaur
- New search for: Singh, Paramjot
- New search for: Choudhary, B. C.
- New search for: Walia, Gurleen Kaur
- New search for: Kaur, Navjot
- New search for: Tarun, Tarun
- New search for: Randhawa, Deep Kamal Kaur
- New search for: Singh, Paramjot
- New search for: Choudhary, B. C.
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In:
Journal of Molecular Modeling
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26
, 3
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2020
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ISSN:
- Article (Journal) / Electronic Resource
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Title:Analysis of uric acid adsorption on armchair silicene nanoribbons: a DFT study
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Contributors:Tarun, Tarun ( author ) / Randhawa, Deep Kamal Kaur ( author ) / Singh, Paramjot ( author ) / Choudhary, B. C. ( author ) / Walia, Gurleen Kaur ( author ) / Kaur, Navjot ( author )
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Published in:Journal of Molecular Modeling ; 26, 3
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Publisher:
- New search for: Springer Berlin Heidelberg
- New search for: Springer
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Place of publication:Berlin
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Publication date:2020
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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:Electronic Resource
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Language:English
- New search for: 35.00 / 44.42
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Table of contents – Volume 26, Issue 3
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.
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EMPIRE: a highly parallel semiempirical molecular orbital program: 3: Born-Oppenheimer molecular dynamicsMargraf, Johannes T. / Hennemann, Matthias / Clark, Timothy et al. | 2020
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The diffusion, structural relaxation, and fragility of [$ VIO^{2+} $][$ Tf_{2} $$ N^{−} $]2 ionic liquidTian, Shikai / Luo, Yi / Zhao, Zhongqin / Deng, Nan / Ren, Gan et al. | 2020
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Experimental and theoretical studies of electrochemical oxidation of nicotinamide adenine dinucleotide at the modified SWCNT and graphene oxideKoçak, İzzet / Alıcı, Hakan et al. | 2020
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DFT study on tautomerism and natural bond orbital analysis of 4-substituted 1,2,4-triazole and its derivatives: solvation and substituent effectsShiroudi, Abolfazl / Safaei, Zahra / Kazeminejad, Zahra / Repo, Eveliina / Pourshamsian, Khalil et al. | 2020
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The high covalence of metal-ligand bonds as stability limiting factor: the case of Rh(IX)$ O_{4} $+ and Rh(IX)$ NO_{3} $Domański, Mateusz A. / Wolański, Łukasz / Szarek, Paweł / Grochala, Wojciech et al. | 2020
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Structure and electronic spectra of neutral and protonated forms of anticonvulsant drug lamotriginePraski, Aleksander / Jaworska, Maria / Lodowski, Piotr et al. | 2020
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Effect of sodium gluconate on molecular conformation of polycarboxylate superplasticizer studied by the molecular dynamics simulationQi, Huahui / Ma, Baoguo / Tan, Hongbo / Li, Chunbao / Zhi, Zhenzhen / Wang, Hui / Liu, Xiaohai / Yang, Qi et al. | 2020
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If you do not try, you will never know!Jäger, Christof M. / Lanig, Harald et al. | 2020
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Ligand effects on coordination properties of organolithium compounds: insights from computational experiments on a “weakened” $ Li^{+} $Gérard, Hélène / Chaquin, Patrick / Maddaluno, Jacques et al. | 2020
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Theoretical study on the stability of the complexes A···$ BX_{3} $ [A = $ CH_{3} $$ NH_{3} $+, $ NH_{2} $$ CHNH_{2} $+, $ NH_{2} $$ CHOH^{+} $; B = $ Sn^{2+} $, $ Pb^{2+} $; X = $ F^{−} $, $ Cl^{−} $, $ Br^{−} $, $ I^{−} $]Wang, Mengmeng / Li, Wei / Lu, Fangchao / Ding, Xunlei et al. | 2020
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Comparative cation sensing properties of a newly designed urea linked ferrocene-benzimidazole dyad: a DFT studySarikavak, Kübra / Kurtay, Gülbin / Sevin, Fatma et al. | 2020
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Theoretical study on the gas-phase reaction mechanism of ammonia with nitrous oxideLi, Yuyan / Jiang, Rongpei / Xu, Sen / Gong, Xuedong / Pan, Feng / Pang, Aimin et al. | 2020
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Vibrational, thermodynamic, and dielectric properties of ε-CL-20: first-principles calculationsHong, Dan / Zeng, Wei / Qin, Han / Jiang, Cheng-Lu / Liu, Fu-Sheng / Tang, Bin / Liu, Qi-Jun et al. | 2020
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Site-directed mutations of anti-amantadine scFv antibody by molecular dynamics simulation: prediction and validationXie, Sanlei / Wang, Jianyi / Yu, Xuezhi / Peng, Tao / Yao, Kai / Wang, Sihan / Liang, Demei / Ke, Yuebin / Wang, Zhanhui / Jiang, Haiyang et al. | 2020
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A computational study of thiol-containing cysteine amino acid binding to $ Au_{6} $ and $ Au_{8} $ gold clustersNhat, Pham Vu / Nguyen, Pham Tran Nguyen / Si, Nguyen Thanh et al. | 2020
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Electronic structure of polythiophene gas sensors for chlorinated analytesAshraf, Ayesha / Farooq, Umar / Farooqi, Bilal Ahmad / Ayub, Khurshid et al. | 2020
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DDAPRED: a computational method for predicting drug repositioning using regularized logistic matrix factorizationWang, Xiaofeng / Yan, Renxiang et al. | 2020
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On the nature of the interaction of copper hydride and halide with substituted ethylene and acetyleneArslancan, Serra / Herrera, Barbara / Lamsabhi, Al Mokhtar et al. | 2020
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Boron nitride nanotubes as containers for targeted drug delivery of doxorubicinNejad, Marjan A. / Umstätter, Philipp / Urbassek, Herbert M. et al. | 2020
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Towards an unified chemical model of secondary bondingSilvi, Bernard / Alikhani, Esmaïl / Ratajczak, Henryk et al. | 2020
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Analysis of uric acid adsorption on armchair silicene nanoribbons: a DFT studyTarun, Tarun / Randhawa, Deep Kamal Kaur / Singh, Paramjot / Choudhary, B. C. / Walia, Gurleen Kaur / Kaur, Navjot et al. | 2020
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The hydrogen transfer reaction between the substance of triplet state thioxanthone and alkane with sp3 hybridization hydrogenZhao, Xiaotian / Huang, Wanqiu / Song, Dandan / Lin, Runxing / Huang, Hong / Huang, Junjun / Wu, Bo / Huang, Yugang / Ye, Guodong et al. | 2020
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Effects of boron doping on structural, electronic, elastic, and optical properties of energetic crystal 2,6-diamino-3,5-dinitropyrazine-1-oxide: a theoretical study using the first principles calculation and Hirshfeld surface analysisWu, Qiong / Li, Mingqun / Hu, Qinnan / Zhang, Zewu / Zhu, Weihua et al. | 2020