Zobrazeno 1 - 10
of 30
pro vyhledávání: '"Harsha V. R. Annapureddy"'
Autor:
Bruce W. Arey, Liem X. Dang, B. P. McGrail, Alice Dohnalkova, Naveen K. Karri, Kyle J. Alvine, Satish K. Nune, Praveen K. Thallapally, Harsha V. R. Annapureddy, Donghai Mei, Matthew J. Olszta
Publikováno v:
ACS Applied Materials & Interfaces. 7:21712-21716
Nanoscale porous coordination polymers were synthesized using simple wet chemical method. The effect of various polymer surfactants on colloidal stability and shape selectivity was investigated. Our results suggest that the nanoparticles exhibited si
Autor:
Praveen K. Thallapally, Harsha V. R. Annapureddy, Satish K. Nune, B. Peter McGrail, Carlos Fernandez, Liem X. Dang, Radha Kishan Motkuri, Jian Liu, Rajamani Krishna
Publikováno v:
Chemical Communications, 51(40), 8421-8424. Royal Society of Chemistry
A flexible metal-organic framework constructed from a flexible linker is shown to possess the capability of separating mixtures of polar compounds (propanol isomers) by exploiting the differences in the saturation capacities of the constituents. Tran
Autor:
Liem X. Dang, Tai B. Truong, Harsha V. R. Annapureddy, B. Peter McGrail, Radha Kishan Motkuri, Praveen K. Thallapally, Phuong T. M. Nguyen
Publikováno v:
Molecular Simulation. 40:571-584
In this review, we describe recent efforts to systematically study nano-structured metal organic frameworks (MOFs), also known as metal organic heat carriers, with particular emphasis on their appl...
Autor:
Harsha V. R. Annapureddy, Liem X. Dang
Publikováno v:
The Journal of Physical Chemistry B. 117:8555-8560
In this study, we carried out molecular dynamics simulations to examine the molecular mechanism for ionic liquid pair association in aqueous solutions. We chose the commonly studied imidazolium-based ionic liquid pairs. We computed potentials of mean
Publikováno v:
Chemical Physics Letters. 554:90-95
To elevate our understanding of ion specific activity in biological systems, the potential of mean force approach was utilized to study solvent effects on interactions between two alkali cations (Na+ and K+) with a formate anion in water. A very comp
Autor:
Praveen K. Thallapally, Xiuquan Sun, Harsha V. R. Annapureddy, B. Peter McGrail, Liem X. Dang
Publikováno v:
Chemical Physics Letters. 551:115-120
Molecular dynamics simulations were carried out to systematically study solvation and nanoparticle–particle interactions in n -hexane, water and methanol solvents. The dynamics of the n -hexane molecules was significantly influenced by the solvated
Autor:
Pablo M. De Biase, Jorge Kohanoff, Claudio J. Margulis, David F. Coker, Harsha V. R. Annapureddy, Mario G. Del Pópolo
Publikováno v:
Margulis, C J, Annapureddy, H V R, De Biase, P M, Coker, D, Kohanoff, J & Del Popolo, M G 2011, ' Dry Excess Electrons in Room-Temperature Ionic Liquids ', Journal of the American Chemical Society, vol. 133, no. 50, pp. 20186-20193 . https://doi.org/10.1021/ja203412v
In this article, we describe general trends to be expected at short times when an excess electron is generated or injected in different room-temperature ionic liquids (RTILs). Perhaps surprisingly, the excess electron does not localize systematically
Publikováno v:
The Journal of Physical Chemistry B. 115:13212-13221
In this article we show that, analyzed in a barycentric reference frame, the deviation in conductivity measured directly from impedance experiments with respect to that estimated indirectly from NMR diffusion experiments has different origins in elec
Publikováno v:
The Journal of Physical Chemistry B. 112:7837-7849
We have performed classical molecular dynamics simulations to calculate the Optical Kerr effect (OKE) spectra of 1-methoxyethylpyridinium dicyanoamide, a room-temperature ionic liquid (IL) which has been recently studied by Shirota and Castner (Shiro
Publikováno v:
The journal of physical chemistry letters. 4(1)
In this work we compare the role that different anions play in the structure function S(q) for a set of liquids with the same cation. It is well established that because of their amphiphilic nature and their often larger size, cations play a fundamen