Sambhu N. Datta

Broken-Symmetry Density Functional Theory Investigation on Bis-Nitronyl Nitroxide Diradicals:  Influence of Length and Aromaticity of Couplers

Md. Ehesan Ali, Sambhu N. Datta · The Journal of Physical Chemistry A · 2006 · 155 citations

Natural Sciences, Chemistry, Physics +17

Phenylene Coupling of Methylene Sites. The Spin States of Bis(X−methylene)-<i>p</i>-phenylenes and Bis(chloromethylene)-<i>m</i>-phenylene

Carl Trindle, Sambhu N. Datta, Buddhadeb Mallik · Journal of the American Chemical Society · 1997 · 92 citations

Natural Sciences, Chemistry, Physics +11

Molecular orbital studies on the spin states of nitroxide species: Bis- and trisnitroxymetaphenylene, 1,1-bisnitroxyphenylethylene, and 4,6-dimethoxy-1,3-dialkylnitroxy-benzenes

Carl Trindle, Sambhu N. Datta · International Journal of Quantum Chemistry · 1996 · 87 citations · Full text

Natural Sciences, Chemistry, Physics +17

The Triplet–Singlet Gap in the <i>m</i>-Xylylene Radical: A Not So Simple One

Daniel Reta, Arun K. Pal, Ibério de P. R. Moreira et al. · Journal of Chemical Theory and Computation · 2013 · 60 citations

Natural Sciences, Chemistry, Physics +17

The minimax technique in relativistic Hartree-Fock calculations

Sambhu N. Datta, G. Devaiah · Pramana · 1988 · 54 citations

Natural Sciences, Chemistry, Physics +14