The topology analysis of electron localization function (ELF), localized orbital locator (LOL), the study nonlinear optical properties, thermal and biological activities cephalexin have been performed using DFT/B3LYP employing 6-311++G(d,p) basis sets. Mulliken atomic charge on atoms has calculated. quantities describing (NLO) properties like molecular polarizability (α), first hyperpolarizabil...

Organic π-conjugated materials have been widely used for a variety of nonlinear optical (NLO) applications. Molecules with negative real components Re(γ) of the third-order polarizability, which leads to nonlinear refraction in macroscopic systems, have important benefits for several NLO applications. However, few organic systems studied to date have negative Re(γ) in the long wavelength limit,...

Deep-ultraviolet (deep-UV) nonlinear optical (NLO) crystals play a crucial role in modern laser frequency conversion technology. Traditionally, the exploration of deep-UV NLO crystals is mainly focused on borates, while, the use of phosphates recently opened up a novel and promising non-boron pathway for designing new deep-UV NLO crystals. Extending this pathway to aluminosilicates led to the d...

Higher twists and α s (M Z) extractions from the NNLO QCD analysis of the CCFR data for the xF 3 structure function. Abstract A detailed next-to-next-to-leading order (NNLO) QCD analysis is performed for the experimental data of the CCFR collaboration for the xF 3 structure function. Theoretical ambiguities of the results of our NNLO fits are estimated by application of the Padé resummation tec...

A bstract We perform global fit to the quark Sivers function within transverse momentum dependent (TMD) factorization formalism in QCD. simultaneously asymmetry data from Semi-Inclusive Deep Inelastic Scattering (SIDIS) at COMPASS, HERMES, and JLab, Drell-Yan lepton pair production W/Z boson RHIC. This extraction is performed next-to-leading order (NLO) next-to-next-to leading logarithmic (NNLL...

Triple gauge boson hadroproduction, in particular the production of three W-bosons at the LHC, is considered at next-to leading order accuracy in QCD. The NLO matrix elements are combined with parton showers. Multijet merging is invoked such that NLO matrix elements with one additional jet are also included. The studies here incorporate both the signal and all relevant backgrounds for VH produc...

We calculate the inclusive production of charged hadrons in pp̄ collisions to next-to-leading order (NLO) in the QCD improved parton model using a new set of NLO fragmentation functions for charged pions and kaons. We predict transverse-momentum distributions and compare them with experimental data from the CERN Spp̄S Collider and the Fermilab Tevatron. DESY 95-020 TUM-T31-84/95

We study jet final states in diffractive deep-inelastic scattering. We present the QCD factorization formula in terms of diffractive parton distributions and discuss its implementation in NLO Monte Carlo generators. We compute NLO predictions for the diffractive jet cross section. We use this calculational framework to discuss theoretical models of the long-distance behavior.

In this contribution we study azimuthal angle decorrelation in inclusive dijet cross sections taking into account the next–to–leading (NLO) corrections to the BFKL kernel while keeping the jet vertices at leading order. We show how the angular decorrelation for jets with a wide relative separation in rapidity largely decreases when the NLO corrections are included.

After the final analyses of the H1 and ZEUS collaborations for the diffractive photoproduction of dijets have appeared, we have recalculated these cross sections in nextto-leading order (NLO) of perturbative QCD to see whether they can be interpreted consistently. The results of these calculations are compared to the data of both collaborations. We find that at NLO the cross sections disagree w...