Results 171 to 180 of about 17,630 (246)

Design and evaluation of indacenothienothiophene based functional materials for second and third order nonlinear optics properties via DFT approach. [PDF]

Sci Rep
Haq S, Khalid M, Braga AAC, Alhokbany N, Chen K.   +4 more
europepmc   +1 more source

Exploration of promising key electronic and nonlinear optical properties of bifluorenylidene based chromophores: a TD-DFT/DFT approach. [PDF]

Sci Rep
Shafiq I, Irshad I, Zahid R, Mahmood K, Ahmed S, Bullo S, Alhokbany N.   +6 more
europepmc   +1 more source

Status of QCD precision predictions for Drell-Yan rapidity distributions. [PDF]

Eur Phys J C Part Fields
Alekhin S, Amoroso S, Buonocore L, Huss A, Kallweit S, Kardos A, Michel J, Moch S, Petriello F, Rottoli L, Trócsányi Z, Wiesemann M.   +11 more
europepmc   +1 more source

Unraveling the NLO potential of isoquinoline functionalized chromophores via molecular modeling using DFT/TD-DFT approaches. [PDF]

Sci Rep
Shafiq I, Raza N, Dildar S, Bullo S.
europepmc   +1 more source

Application of Elongation Method-Based Alternating Property Optimization: (Hyper)polarizability of Substituted Polyfuran. [PDF]

Molecules
Lin S, Orimoto Y, Aoki Y.
europepmc   +1 more source

OEEF-Driven Intramolecular Self-Redox of Superalkali Rb₃BeB₆Be'Rb'₃: A High-Performance Candidate for NLO Molecular Switch. [PDF]

ACS Omega, 2023
Zeng JM, Liu Q, Zhao JY, Deng R, Wang YF, Huang J, Li ZR.   +6 more
europepmc   +1 more source

Tube-like Gold Clusters M₂@Au₁₇ ^q (M = W, Mo; q = 0, ±1): Structure, Electronic Property, and Optical Nonlinearity. [PDF]

ACS Omega
Nhat PV, Trang NTB, Dang MT, Thanh Si N, Thao TTN, Thao PTB, Nguyen MT.   +6 more
europepmc   +1 more source

Structural, Optical and Electrical Characterization of L-Alanine Doped KDP Crystal for NLO Application: An Experimental and Quantum Computational Study

Md. Anisur Rahman, Jiban Podder
openalex   +2 more sources

Synthesis and characterization of fluorenone derivatives with electrical properties explored using density functional theory (DFT). [PDF]

Sci Rep
Farooq MU, Muneer M, Shahid A, Rehman MA, Ullah K, Murtaza G, Iqbal R, Iqbal J, Rahimi M.   +8 more
europepmc   +1 more source

Contribution of Ethynyl Single Crystal on the Non-Linear Optical (Nlo) Response: Structural, Hirshfeld Surface, Photoelectronic and Dft Computational Study

, 2023
Wan M. Khairul, Mas Mohammed, Rafizah Rahamathullah, Muhamad Fikri Zaini, Suhana Arshad, Ibrahim Abdul Razak, Fazira Ilyana Abdul Razak, Suhaila Sapari   +7 more
openalex   +1 more source