Hierarchical Structures in Tin(II) Oxalates (2008)
Ramaswamy, Padmini, Datta, Ayan, Natarajan, Srinivasan
Six new $Sn^{II}$ oxalates exhibiting a hierarchy of structures have been prepared employing hydrothermal methods. The compounds I $[C_{10}N_2H_{10}][Sn(C_2O_4)_2]$, II...
Sarkar, Sumana, Datta, Ayan, Mondal, Amrita, Chopra, Deepak, Ribas, Joan, Rajak, Kajal Krishna, ...
Synthesis, structural characteristics, magnetic studies and DFT calculations in Ni(II) dinuclear complexes containing two bridging $N_{3}^{-}$ and an O-H...O linkage reveal the existence of...
Ab-initio calculations reveal that all-metal antiaromatic molecules like Al4M4 (M=Li, Na and K) can be stabilized in half-sandwich complex: (Al4M4)Fe(CO)3 and full-sandwich complexes of the type:...
Rationalization of pi(sigma) anti(aromaticity) in all metal molecular clusters (2005)
A sigma-pi separation analysis of the energies in Al4Li4 reveals that the system is more pi-antiaromatic than the sigma-aromaticity in it. This is true also for C4H4 and Ga4Li4. Unlike C4H4 that has...
Proton-Pump Mechanism in Retinal Schiff Base: On the molecular structure of the M-state (2005)
Theoretical characterizations of the various intermediates in the proton pump cycle of the retinal Schiff base in the Halobacterium salinarium have been performed. Contrary to the general belief over...
Long range electron transfer across $\pi$-conjugated systems: role of electron correlations (2005)
Lakshmi, S., Datta, Ayan, Pati, Swapan K.
We consider a prototype polyene chain: donor-$\pi$(bridge)-acceptor. The distance between the donor and the acceptor is varied by increasing the number of bridged atoms and rate of electron transfer,...
We propose new methodologies for stabilizing all-metal antiaromatic clusters like: Al$_{4}$Li$_{4}$. We demonstrate that these all-metal species can be stabilized by complexation with 3d-transition...
Charge-transfer induced large nonlinear optical properties of small Al Clusters: Al4M4 (2004)
We investigate the linear and nonlinear electric polarizabilities of small Al4M4 (M=Li, Na and K) clusters. Quantum chemical calculations reveal that these compounds exhibit an exceptionally high...