01673nas a2200217   4500008004100000020002200041022001400063245012600077210006900203260007200272300001100344520083100355100001601186700002101202700001201223700002201235700002101257700002301278700002201301856013201323       2010                        eng d  a978-3-642-10321-6  a1570-659100aStatic hyper-polarizability of open shell molecules computed at the FSMRCCSD level using constrained variational approach0 aStatic hyperpolarizability of open shell molecules computed at t  a233 Spring Street, New York, NY 10013, United StatesbSpringercFEB  a99-1093 a<p>In recent years, there has been a significant development in the analytic derivatives of energy with respect to electric fields based on the state-of-the-art multi-reference coupled-cluster method using Lagrangian based constrained variational approach. So far, the Lagrangian based Fock space multi-reference coupled cluster (FSMRCC) method has been successfully used to calculate electrical dipole moment and polarizability of open shell molecules, particularly, doublet radicals at the ground state and the electronic excited states of closed shell molecules. In this article, Lagrangian based FSMRCC method has been implemented for the first time for calculation of hyper polarizabilites of a few doublet radicals such as OH, OF, NO and NO(2). Orbital-relaxed finite field FSMRCC values are reported for comparison.</p>1 aBag, Arijit1 aBhattacharya, S.1 aPal, S.1 aChaudhuri, R., K.1 aMekkaden, M., V.1 aRaveendran, A., V.1 aNarayanan, A., S.  uhttps://library.ncl.res.in/content/static-hyper-polarizability-open-shell-molecules-computed-fsmrccsd-level-using-constrained-002035nas a2200229   4500008004100000022001400041245016400055210006900219260011000288300001400398490000600412520112200418100001201540700002201552700001701574700001401591700001901605700002101624700001401645700001801659856012801677       2012                        eng d  a1744-683X00aNanocomposite silica surfactant microcapsules by evaporation induced self assembly: tuning the morphological buckling by modifying viscosity and surface charge0 aNanocomposite silica surfactant microcapsules by evaporation ind  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcDEC  a1955-19630 v83 a<p>Nanocomposite microcapsules of silica and surfactants have been synthesized using evaporation induced self-assembly through spray drying. It was established using electron microscopy and small-angle neutron/X-ray scattering experiments that the viscosity of the virgin dispersion and surface charge of colloidal components play a significant role in the buckling of spray droplets during drying. Hollow spherical grains are realized at relatively low viscosity and higher surface charge while mushroom like grains manifest at higher viscosity and lower surface charge. In the intermediate conditions, deformed doughnut shaped microcapsules are obtained. Scattering experiments establish the presence of the organization of micelle like aggregates of surfactants in the dried grains and also corroborate with the observations from electron microscopy. A plausible mechanism regarding the chronological pathways of morphological transformation is illustrated. Computer simulation, based on buckling of an elastic shell using a surface evolver, has been attempted in order to corroborate the experimental results.</p>1 aSen, D.1 aBahadur, Jitendra1 aMazumder, S.1 aVerma, G.1 aHassan, P., A.1 aBhattacharya, S.1 aVijai, K.1 aDoshi, Pankaj  uhttps://library.ncl.res.in/content/nanocomposite-silica-surfactant-microcapsules-evaporation-induced-self-assembly-tuning-0