- Ayan Datta and Swapan K. Pati,
Limit to puckering of benzene with sterically crowded molecules: Hexaferrocenylbenzene,
Chemical Physics Letters
433, 67 (2006).
- B. Muralid haran, A. W. Ghosh, Swapan Pati and S. Datta,
Are short molecules quantum dot arrays?,
IEEE Conference on Nanotechnology
130, 1 (2006).
- A. Datta and Swapan K. Pati,
Stability of Cyclic (H2O)n Clusters within Molecular Solids: Role of Aromaticity,
Int. Jour. Quant. Chem.
106, 1697 (2006).
- S.Sarkar, Ayan Datta, A.Mondal, D.Chopra, J.Ribas, K.K.Rajak, Sairam S.M. and Swapan K. Pati,
Competing Magnetic Interactions in a Dinuclear Ni(II) Complex: Antiferromagnetic O-H....O Moiety and Ferromagnetic N3- Ligand,
J. Phys. Chem. B (Letters)
110, 12 (2006).
- A. Rehaman, Ayan Datta, Sairam S.M. and Swapan K. Pati,
Quantifying Aromaticity at the Molecular and Supramolecular Limits: Comparing Homonuclear, Heteronuclear and H-Bonded Systems,
J. Chem. Theory Comput.
2, 30 (2006).
- S. Natarajan, K. S. Narayan and Swapan K. Pati,
Synthesis, structure and magnetic properties of the polyoxovanadate cluster [Zn2(NH2(CH2)2NH2)5][{Zn(NH2(CH2)2NH2)2}2{V18O42(H2O)}]-xH2O (x �?� 12), possessing a layered structure,
J. Chem. Sci.
118, 57 (2006).
- Sairam S. M., Ayan Datta and Swapan K. Pati,
Conformational Preference in Heteroatomic Analogues of Ethane, H3X-YH3 (X = B, Al; Y = N, P): Implications of Charge Transfer,
J. Phys. Chem.
5156 (2006).
- Ayan Datta and Swapan K. Pati,
Li and Be Clusters: Structure, bonding and odd-even effects in half-filled systems,
Computing Letters
1(4), 271 (2006).
- Mohan P. J., Ayan Datta, Sairam S. M. and Swapan K. Pati,
Structures of Nucleobases Trapped within Au Triangles and Its effects on Hydrogen Bonding in Base Pairs of DNA,
J. Phys. Chem. B
110, 18661 (2006).
- Sheelan Sengupta, S. Lakshmi and Swapan K Pati,
Effects of Dimerization and Spin Polarization on the Conductance of a Molecular wire,
J. Phys. Cond. Mat.
18, 9189 (2006).
- Sairam S. Mallajosyula, Ayan Datta and Swapan K. Pati,
Aromatic superclusters from all-metal aromatic and antiaromatic monomers, [Al4]2- and [Al4]4-,
J. Phys. Chem. B. (Letters)
110, 20098 (2006).
- Ayan Datta and Swapan K. Pati,
Dipolar Interactions and Hydrogen Bonding in Supramolecular Aggregates: Understanding Cooperative Phenomena for 1st Hyperpolarizability,
Chemical Society Reviews
35, 1305 (2006).
- Reji Thomas, S. Lakshmi, Swapan K. Pati and G. U. Kulkarni,
Role of triple bond in 1,2-diphenylacetylene crystal: A Combined Experimental and Theoretical Study,
J. Phys. Chem.
24674 (2006).
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