All Stories

  1. Triply twisted Möbius annulene: a new class of two-photon active material – a computational study

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr Md Mehboob Alam, Mr Varun Kundi

  2. Donors contribute more than acceptors to increase the two-photon activity – a case study with cyclopenta[b]naphthalene based molecules

    Article • Physical Chemistry Chemical Physics, October 2014, Royal Society of Chemistry

    Dr Md Mehboob Alam

  3. Ab initio study of solvent-dependent one-, two- and three-photon absorption properties of PRODAN-based chemo-sensors

    Article • Journal of Chemical Sciences, July 2014, Springer Science + Business Media

    Dr Md Mehboob Alam

  4. Electrically Controlled Eight‐Spin‐Qubit Entangled‐State Generation in a Molecular Break Junction

    Article • ChemPhysChem, April 2014, Wiley

    Dr Md Mehboob Alam

  5. Chemical Control of Channel Interference in Two-Photon Absorption Processes

    Article • Accounts of Chemical Research, April 2014, American Chemical Society (ACS)

    Dr Md Mehboob Alam

  6. On the origin of the very strong two-photon activity of squaraine dyes – a standard/damped response theory study

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dr Md Mehboob Alam

  7. Cd(ii) based metal–organic framework behaving as a Schottky barrier diode

    Article • Chemical Communications, January 2014, Royal Society of Chemistry

    Dr Md Mehboob Alam

  8. Spatial spin-charge separation in neutral endohedral metallofullerene: A combined restricted open-shell MP2 and Car–Parrinello molecular dynamics study

    Article • Chemical Physics Letters, February 2013, Elsevier

    Dr Md Mehboob Alam

  9. Effect of donor–acceptor orientation on solvent-dependent three-photon activity in through-space charge-transfer systems – case study of [2,2]-paracyclophane derivatives

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Kenneth Ruud, Dr Md Mehboob Alam

  10. Chemical control of a molecular spin switch in the presence of a gate

    Article • RSC Advances, January 2013, Royal Society of Chemistry

    Dr Md Mehboob Alam

  11. Electrostatic Spin Crossover and Concomitant Electrically Operated Spin Switch Action in a Ti-Based Endohedral Metallofullerene Polymer

    Article • Physical Review Letters, December 2012, American Physical Society (APS)

    Dr Md Mehboob Alam

  12. Metallophilic interactions in A-frame molecules [S(MPH3)2] (M=Cu, Ag, Au) from range-separated density-functional perturbation theory

    Article • Chemical Physics Letters, December 2012, Elsevier

    Dr Md Mehboob Alam

  13. On the Origin of Large Two-Photon Activity of DANS Molecule

    Article • The Journal of Physical Chemistry A, October 2012, American Chemical Society (ACS)

    Dr Md Mehboob Alam

  14. Enhancement of Twist Angle Dependent Two-Photon Activity through the Proper Alignment of Ground to Excited State and Excited State Dipole Moment Vectors

    Article • The Journal of Physical Chemistry A, July 2012, American Chemical Society (ACS)

    Dr Md Mehboob Alam

  15. High-Polarity Solvents Decreasing the Two-Photon Transition Probability of Through-Space Charge-Transfer Systems — A Surprising In Silico Observation

    Article • The Journal of Physical Chemistry Letters, March 2012, American Chemical Society (ACS)

    Dr Md Mehboob Alam

  16. The role of relativity and dispersion controlled inter-chain interaction on the band gap of thiophene, selenophene, and tellurophene oligomers

    Article • The Journal of Chemical Physics, March 2012, American Institute of Physics

    Dr Md Mehboob Alam

  17. Solvent induced channel interference in the two-photon absorption process—a theoretical study with a generalized few-state-model in three dimensions

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Dr Md Mehboob Alam

  18. On the microscopic origin of bending of graphene nanoribbons in the presence of a perpendicular electric field

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Dr Md Mehboob Alam

  19. New Design Strategy for the Two-Photon Active Material Based on Push−Pull Substituted Bisanthene Molecule

    Article • The Journal of Physical Chemistry A, March 2011, American Chemical Society (ACS)

    Dr Md Mehboob Alam

  20. A critical theoretical study on the two-photon absorption properties of some selective triaryl borane-1-naphthylphenyl amine based charge transfer molecules

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Dr Md Mehboob Alam