Computer simulation study of the intermolecular structure of phosphoric acid–N,N-dimethylformamide mixtures (English)
- New search for: Fedorova, Irina V
- New search for: Fedorova, Irina V
- New search for: Kiselev, Michael G
- New search for: Safonova, Lyubov P
In:
Journal of molecular modeling
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21
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; 1-6
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2015
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ISSN:
- Article (Journal) / Print
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Title:Computer simulation study of the intermolecular structure of phosphoric acid–N,N-dimethylformamide mixtures
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Contributors:
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Published in:Journal of molecular modeling ; 21, 1 ; 1-6
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Publisher:
- New search for: Springer
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Place of publication:Berlin
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Publication date:2015
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ISSN:
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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: 35.06 / 35.06
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Table of contents – Volume 21, Issue 1
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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Effect of water in amorphous polyvinyl formal: insights from molecular dynamics simulationYin, Qiang / Zhang, Lin / Jiang, Bo / Yin, Qinjian / Du, Kai et al. | 2015
- 1
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Charge transfer complexes of fullerene[60] with porphyrins as molecular rectifiers. A theoretical studyMontiel, Filiberto / Fomina, Lioudmila / Fomine, Serguei et al. | 2015
- 1
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Modeling the antiferromagnetic MnIIMnII system within the protein phosphatase-5 catalytic siteSalter, E. A. / Honkanen, R. E. / Wierzbicki, A. et al. | 2015
- 1
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Theoretical study of the dimerization of aqueous beryllium cationsJin, Xiaoyan / Wu, Hai / Wang, Hong / Huang, Zhengjie / Zhang, Hong et al. | 2015
- 1
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Targeting a cluster of arginine residues of neuraminidase to avoid oseltamivir resistance in influenza A (H1N1): a theoretical studyGema, L. Ramírez-Salinas / Tolentino-Lopez, L. E. / Martínez-Ramos, F. / Padilla-Martínez, I. / García-Machorro, J. / Correa-Basurto, J. et al. | 2015
- 1
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Molecular dynamics study on the tensile deformation of cross-linking epoxy resinXin, Dong R. / Han, Qiang et al. | 2015
- 1
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A mixed basis with off-center Gaussian functions for the calculation of the potential energy surfaces for π-stacking interactions: dimers of benzene and planar C6Yurtsever, Ersin et al. | 2015
- 1
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Binuclear cyclopentadienylrhenium hydride chemistry: terminal versus bridging hydride and cyclopentadienyl ligandsGao, Xiaozhen / Li, Nan / King, R. Bruce / Schaefer, Henry F. III et al. | 2015
- 1
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Theoretical studies of the nitrogen containing compounds adsorption behavior on Na(I)Y and rare earth exchanged RE(III)Y zeolitesGeng, Wei / Zhang, Haitao / Zhao, Xuefei / Zan, Wenyan / Gao, Xionghou / Yao, Xiaojun et al. | 2015
- 1
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Molecular dynamics simulation of melting and crystallization processes of polyethylene clusters confined in armchair single-walled carbon nanotubesZhou, Zhou / Wang, Jinjian / Zhu, Xiaolei / Lu, Xiaohua / Guan, Wenwen / Yang, Yuchen et al. | 2015
- 1
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Theoretical study of the reaction mechanism of CH3NO2 with NO2, NO and CO: the bimolecular reactions that cannot be ignoredZhang, Ji-Dong / Kang, Li-Hua / Cheng, Xin-Lu et al. | 2015
- 1
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Computational studies of water and carbon dioxide interactions with cellobioseBazooyar, Faranak / Bohlén, Martin / Bolton, Kim et al. | 2015
- 1
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Quantum chemical studies on nanostructures of the hydrated methylimidazolium–based ionic liquidsRoohi, Hossein / Khyrkhah, Shiva et al. | 2015
- 1
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An approach to creating a more realistic working model from a protein data bank entryBrandon, Christopher J. / Martin, Benjamin P. / McGee, Kelly J. / Stewart, James J. P. / Braun-Sand, Sonja B. et al. | 2015
- 1
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Direct and solvent-assisted keto–enol tautomerism and hydrogen-bonding interactions in 4-(m-chlorobenzylamino)-3-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one: a quantum-chemical studyArslan, N. Burcu / Özdemir, Namık et al. | 2015
- 1
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A single theoretical descriptor for the bond-dissociation energy of substituted phenolsAliaga, Carolina / Almodovar, Iriux / Rezende, Marcos Caroli et al. | 2015
- 1
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Hydrogen bridges of polycyclic aromatic systems with O-H···O bonds — a gas-phase vs. solid-state Car-Parrinello studyPanek, Jarosław J. / Jezierska, Aneta et al. | 2015
- 1
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Nitro and dinitroamino N-oxides of octaazaanthracene as high energy materialsUpadhyay, Manish Kumar / Sengupta, Soumitra Kumar / Singh, Hari Ji et al. | 2015
- 1
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Computer simulation study of the intermolecular structure of phosphoric acid–N,N-dimethylformamide mixturesFedorova, Irina V. / Kiselev, Michael G. / Safonova, Lyubov P. et al. | 2015
- 2558
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A mixed basis with off-center Gaussian functions for the calculation of the potential energy surfaces for π-stacking interactions: dimers of benzene and planar CYurtsever, Ersin et al. | 2015