- Ayan Datta, Neena S. John, G.U. Kulkarni and Swapan K. Pati,
Aromaticity in Stable Tiara Nickle Thiolates: Computational and Structural Analysis,
J. Phys. Chem. A (Letters)
109, 11647 (2005).
- Swapan K. Pati and C. N. R. Rao,
Role of spin magnitude of the magnetic ion in determining the frustration and low-temperature properties of kagome lattices,
J. Chem. Phys.
123, 234703 (2005).
- S. Lakshmi and Swapan K. Pati,
Current-voltage characteristics in donor-acceptor systems: Implications of a spatially varying electric field,
Phys. Rev. B (Brief report)
72, 193410 (2005).
- Ayan Datta and Swapan K. Pati,
New examples of metalloaromatic Al-clusters: (Al4M4)Fe(CO)3 (M = Li, Na and K) and (Al4M4)2Ni : rationalization for possible synthesis,
Chemical Communications
5032 (2005).
- Sukhendu Mandal, Swapan K. Pati, Mark. A. Green and Srinivasan Natarajan,
Inorganic-organic hybrid compounds : Synthesis, structure, and magnetic properties of the first organically templated iron oxalate-phosphite, [C4N2H12][FeII4(HPO3)2(C2O4)3], possessing infinite Fe-O-Fe Chains,
Chem. Mater.
17, 2912 (2005).
- Ayan Datta, and Swapan K. Pati,
Stable transition metal complexes of an all-metal antiaromatic molecule (Al4Li4):Role of Complexations,
J. Am. Chem. Soc.
127, 3496 (2005).
- Ayan Datta, Daly Davis, K. Sreekumar and Swapan K. Pati,
Odd - even oscillations in 1st hyperpolarizabilities of dipolar chromophores: Role of conformations of spacers,
J. Phys. Chem.
4112 (2005).
- Ayan Datta and Swapan K. Pati,
Nonlinear Optical Properties in Calix[n]arenes: Orientation Effects of Monomers,
Chem. Eur. J.
11, 4961 (2005).
- S. Lakshmi, Ayan Datta and Swapan K. Pati,
Long range electron transfer across pi-conjugated systems: Role of electron correlations,
Phys. Rev.
45131 (2005).
- Ayan Datta and Swapan K. Pati,
Rationalization of pi-sigma (anti)aromaticity in all-metal molecular cluster,
J. Chem. Theory & Compt.
1, 824 (2005).
- Sairam S. Mallajosyula, Ayan Datta and Swapan K. Pati,
Structure and Electronic Properties of the Watson-Crick Base Pairs: Role of Hydrogen Bonding,
Syn. Metals
155, 398 (2005).
- Ayan Datta and Swapan K. Pati,
Proton-Pump Mechanism in Retinal Schiff Base: On the Molecular Structure of the M-State,
Syn. Metals
155, 402 (2005).
- S. Mandal, Swapan K. Pati, M. A. Green, S. Natarajan,
The First One-Dimensional Iron Phosphite�??Phosphate, [FeIII(2,2�??-bipyridine)(HPO3)(H2PO4)]: Synthesis, Structure, and Magnetic Properties,
Chem. Mater.
7, 638 (2005).
- S. Lakshmi and Swapan K. Pati,
Negative Differential Resistance in a One-dimensional Molecular Wire with Odd Number of Atoms,
Pramana
65, 593 (2005).
- Daly Davis, K. Sreekumar and Swapan. K. Pati,
Designing effective nonlinear optical (NLO) materials with chiral substituents,
Syn. Metals
155, 384 (2005).
- Ayan Datta and Swapan K. Pati,
Linear and Nonlinear Optical Polarizabilities in Supramolecular Aggregates : Effects of Hydrogen Bonding and Dipolar Interactions,
J. Mol. Struct. (Theochem)
756, 97 (2005).
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