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Pradumn Kumar Pandey Bibhas Adhikari Jayanta Chakraborty 《Journal of mathematical chemistry》2018,56(5):1467-1480
In this paper we interpret nucleation as a network formation process. Inspired by this interpretation we propose a social network model which produces networks with communities. 相似文献
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We study the propagation of anisotropic sound and shock waves in dipolar Bose-Einstein condensate in three dimensions (3D) as well as in quasi-two (2D, disk shape) and quasi-one (1D, cigar shape) dimensions using the mean-field approach. In 3D, the propagation of sound and shock waves are distinct in directions parallel and perpendicular to dipole axis with the appearance of instability above a critical value corresponding to attraction. Similar instability appears in 1D and not in 2D. The numerical anisotropic Mach angle agrees with theoretical prediction. The numerical sound velocity in all cases agrees with that calculated from Bogoliubov theory. A movie of the anisotropic wave propagation in a dipolar condensate is made available as supplementary material. 相似文献
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Birendra Babu Adhikari Cuong-Alexander To Tetsuo Iwasawa 《Supramolecular chemistry》2013,25(10):724-730
Calix[6]arene hexacarboxylic acid binds instantly and with low symmetry to Pb, Sr and Ba. Later a highly symmetric up-down alternating conformation emerges. The solution structures are identical to their p-tert-butylcalix[6]arene hexacarboxylic acid counterparts. With either receptor, an octahedral cage is formed around the metal. The transformation from low to high symmetry however proceeds at significantly faster rates for the de-t-butylated host. 相似文献
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Synthesis and characterization of eumelanin‐inspired poly(indoylenearylenevinylene)s and poly(indoylenearyleneethynylene)s
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Santosh Adhikari RaiAnna A. Hopson Bhishma R. Sedai Frederick M. McFarland Song Guo Toby L. Nelson 《Journal of polymer science. Part A, Polymer chemistry》2017,55(3):457-463
Four novel conjugated polymers containing the eumelanin‐inspired indole core have been successfully synthesized using common cross coupling reactions. These polymers differed by the arylene and the carbon–carbon bond linkage. Optoelectronic experiments of these polymers suggest that the ethynylene linkage contributed to the red‐shifted absorption spectra and blue‐shifted emission spectra when compared to the vinylene linkage polymers. Furthermore, the optical bandgaps of the poly(indoylenearyleneethynylene)s (PIAEs) were smaller compared to the poly(indoylenearylenevinylene)s (PIAVs). Surprisingly, the HOMOs of these polymers were less affected by the nature of the carbon–carbon linkage. However, the LUMOs of the PIAEs were lower in comparison to the PIAVs. These eumelanin‐inspired PIAEs and PIAVs are good fluorophores with fluorescence quantum yields ranging from 0.12 to 0.67 and have good thermal stability for applications such as in organic light‐emitting diodes. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017 , 55, 457–463 相似文献
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Kalipada Adhikari Sudip Chattopadhyay Barin Kumar De Amitava Sharma Ranendu Kumar Nath Dhiman Sinha 《Journal of computational chemistry》2013,34(15):1291-1310
A valence‐universal multireference coupled cluster (VUMRCC) theory, realized via the eigenvalue independent partitioning (EIP) route, has been implemented with full inclusion of triples excitations for computing and analyzing the entire main and several satellite peaks in the ionization potential spectra of several molecules. The EIP‐VUMRCC method, unlike the traditional VUMRCC theory, allows divergence‐free homing‐in to satellite roots which would otherwise have been plagued by intruders, and is thus numerically more robust to obtain more efficient and dependable computational schemes allowing more extensive use of the approach. The computed ionization potentials (IPs) as a result of truncation of the (N−1) electron basis manifold involving virtual functions such as 2h‐p and 3h‐2p by different energy thresholds varying from 5 to 15 a.u. with 1 a.u. intervals as well as thresholds such as 20, 25, and 30 a.u. have been carefully looked into. Cutoff at around 25 a.u. turns out to be an optimal threshold. Molecules such as C2H4 and C2H2 (X = D,T), and N2 and CO (X = D,T,Q) with Dunning's cc‐pVXZ bases have been investigated to determine all main and 2h‐p shake‐up and 3h‐2p double shake‐up satellite IPs. We believe that the present work will pave the way to a wider application of the method by providing main and satellite IPs for some problematic N‐electron closed shell systems. © 2013 Wiley Periodicals, Inc. 相似文献
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