Broken-symmetry density functional theory investigation on bis-nitronyl nitroxide diradicals: influence of length and aromaticity of couplers ME Ali, SN Datta The Journal of Physical Chemistry A 110 (8), 2776-2784, 2006 | 151 | 2006 |
Phenylene Coupling of Methylene Sites. The Spin States of Bis(X−methylene)-p-phenylenes and Bis(chloromethylene)-m-phenylene C Trindle, SN Datta, B Mallik Journal of the American Chemical Society 119 (52), 12947-12951, 1997 | 103 | 1997 |
Molecular orbital studies on the spin states of nitroxide species: Bis‐and trisnitroxymetaphenylene, 1, 1‐bisnitroxyphenylethylene, and 4, 6‐dimethoxy‐1, 3‐dialkylnitroxy‐benzenes C Trindle, S Nath Datta International journal of quantum chemistry 57 (4), 781-799, 1996 | 87 | 1996 |
The Triplet–Singlet Gap in the m-Xylylene Radical: A Not So Simple One D Reta Mañeru, AK Pal, IPR Moreira, SN Datta, F Illas Journal of Chemical Theory and Computation 10 (1), 335-345, 2014 | 67 | 2014 |
The minimax technique in relativistic Hartree-Fock calculations SN Datta, G Devaiah Pramana 30, 387-405, 1988 | 64 | 1988 |
Theoretical and computational aspects of magnetic organic molecules SN Datta, CO Trindle, F Illas World Scientific, 2013 | 56 | 2013 |
Theoretical and computational aspects of magnetic organic molecules SN Datta, CO Trindle, F Illas World Scientific, 2013 | 56 | 2013 |
Theoretical and computational aspects of magnetic organic molecules SN Datta, CO Trindle, F Illas World Scientific, 2013 | 56 | 2013 |
Theoretical and computational aspects of magnetic organic molecules SN Datta, CO Trindle, F Illas World Scientific, 2013 | 56 | 2013 |
Theoretical and computational aspects of magnetic organic molecules SN Datta, CO Trindle, F Illas World Scientific, 2013 | 56 | 2013 |
Theoretical and computational aspects of magnetic organic molecules SN Datta, CO Trindle, F Illas World Scientific, 2013 | 56 | 2013 |
Theoretical and computational aspects of magnetic organic molecules SN Datta, CO Trindle, F Illas World Scientific, 2013 | 56 | 2013 |
Theoretical and computational aspects of magnetic organic molecules SN Datta, CO Trindle, F Illas World Scientific, 2013 | 56 | 2013 |
Theoretical and computational aspects of magnetic organic molecules SN Datta, CO Trindle, F Illas World Scientific, 2013 | 56 | 2013 |
Theoretical and computational aspects of magnetic organic molecules SN Datta, CO Trindle, F Illas World Scientific, 2013 | 56 | 2013 |
Theoretical and computational aspects of magnetic organic molecules SN Datta, CO Trindle, F Illas World Scientific, 2013 | 56 | 2013 |
Theoretical determination of the standard reduction potential of plastocyanin in vitro SN Datta, J Sudhamsu, A Pandey The Journal of Physical Chemistry B 108 (23), 8007-8016, 2004 | 56 | 2004 |
Polyacene spacers in intramolecular magnetic coupling ME Ali, SN Datta The Journal of Physical Chemistry A 110 (49), 13232-13237, 2006 | 55 | 2006 |
Application of effective potentials to relativistic hartree—fock calculations SN Datta, CS Ewig, JR Van Wazer Chemical Physics Letters 57 (1), 83-89, 1978 | 51 | 1978 |
Molecular tailoring and prediction of strongly ferromagnetically coupled trimethylenemethane-based nitroxide diradicals ME Ali, AS Roy, SN Datta The Journal of Physical Chemistry A 111 (25), 5523-5527, 2007 | 46 | 2007 |