Results 111 to 120 of about 792 (187)

Challenges in scaling NLO generators to leadership computers

Journal of Physics: Conference Series, 2017
D Benjamin, JT Childers, S Hoeche, T LeCompte, T Uram   +4 more
openaire   +1 more source

Acceptor-driven synergy in dihydropyridine-based compounds reveals giant static and frequency-dependent hyperpolarizabilities: a quantum exploration. [PDF]

RSC Adv
Gull K, Arshad M, Jamal S, Jawaria R, Ullah S, Imran M.   +5 more
europepmc   +1 more source

Systematic designing of efficient dipolar tetrasubstituted pyrene-based chromophores to tune the frequency dependent nonlinear optical response: A DFT/TD-DFT approach. [PDF]

Sci Rep
Khalid M, Sarwar F, Murtaza S, Braga AAC, Imran M.   +4 more
europepmc   +1 more source

Estimating power corrections for the Drell-Yan process. [PDF]

Eur Phys J Spec Top
Chaubey E, Mukherjee P.
europepmc   +1 more source

Disentangling solvent effects on optical response via p-π and sp² lone-pair contributions in non-aromatic fused systems. [PDF]

Sci Rep
Ibrahim M, Yousuf A, Qureshi MZ, Arshad M, Ali MA.   +4 more
europepmc   +1 more source

Precise standard-model predictions for polarised Z-boson pair production and decay at the LHC. [PDF]

Eur Phys J C Part Fields
Carrivale C, Covarelli R, Denner A, Du D, Haitz C, Hoppe M, Javurkova M, Le DN, Linder J, Sa RCL, Mattelaer O, Mondal S, Ortona G, Pelliccioli G, Poncelet R, Potamianos K, Ruiz R, Schönherr M, Siegert F, Xu L, Wu X, Zanderighi G.   +21 more
europepmc   +1 more source

hoppet v2 release note. [PDF]

Eur Phys J C Part Fields
Karlberg A, Nason P, Salam G, Zanderighi G, Dreyer F.   +4 more
europepmc   +1 more source

Spectroscopic Analysis and Computational Investigation (FMO, MESP and NLO) of 1,2-Dimethylnaphthalene

Asian Journal of Chemistry, 2017
E. Jayachithra, R. Madivanane
openaire   +1 more source

Synthesis and structure-activity relationships of indole-3-butyric acid-based hydrazones: predicting their antibacterial and antioxidant potential through integrated experimental, molecular docking and DFT studies. [PDF]

RSC Adv
Azam M, Mashhood T, Bano S, Ibrahim M, Nadeem S, Zulfiqar H, Al-Shaalan NH, Alharthi S, Amin MA, Khan MU.   +9 more
europepmc   +1 more source

Imidazolium <i>versus</i> phenylalaninium hybrid salts: supramolecular control of electronic, nonlinear optical and bioactive properties. [PDF]

RSC Adv
Walha S, Hussein RK, Roisnel T, Ben Ahmed A.   +3 more
europepmc   +1 more source