#### Filter Results:

#### Publication Year

2002

2015

#### Publication Type

#### Co-author

#### Publication Venue

Learn More

- Anirban Misra, Thomas G. Schmalz, Douglas J. Klein
- Journal of Chemical Information and Modeling
- 2009

Eric Clar's ideas concerning "aromatic sextets" are extended from closed-shell benzenoids to the case of radical benzenoids, particularly those where the unpaired electrons are largely localized on sites of one "type" (starred or unstarred). A quantitative format in terms of a new Clar polynomial is introduced to make quantitative correlations with a… (More)

- A. Misra, D. S. Koltun
- 2008

Pion Double Charge exchange (DCX) scattering off a nuclear target at threshold, is calculated within the framework of Heavy Baryon Chiral Perturbation Theory (HBChPT) to one loop. An estimate for the (2-nucleon) 1-loop correction is obtained in the static limit and using an impulse approximation. We find a small (1.6%) increase relative to the leading order… (More)

- Anirban Misra, Douglas J. Klein
- Journal of Chemical Information and Computer…
- 2002

Cyclo-polyphenacenes belt-type compounds are considered here in terms of some simple chemico-graph-theoretic invariants. First the compounds of this group are neatly encoded in an unambiguous way. Then all the isomers in this system are categorized with respect to their "combinatorial curvature", and for the case of the 52 cyclo-hexaphenacenes it is found… (More)

- Debojit Bhattacharya, Suranjan Shil, Anirban Misra, Laimutis Bytautas, Douglas J Klein
- Physical chemistry chemical physics : PCCP
- 2015

The spin blocker capacity of borazine is investigated. Specifically, meta-B-B, meta-N-N and para-B-N connected borazines are used as spin-blocker couplers comprised of a pair of radicals: two iminonitroxides (IN); IN and tetrathiafulvalene radical cations (TTF); or two TTFs. Density functional theory (DFT) is used to elucidate the spin blocker capacity of… (More)

- ‹
- 1
- ›