Πλοήγηση ανά Θέμα "Second hyperpolarizabilities"
Αποτελέσματα 1-2 από 2
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A Computational Strategy for the Design of Photochromic Derivatives Based on Diarylethene and Nickel Dithiolene with Large Contrast in Nonlinear Optical Properties
(2020)We designed a series of photochromic derivatives by employing density functional method (CAM-B3LYP/6-31G*). These compounds are based on DAE (diarylethenes), both sides of which are bonded with benzene and NiBDT ... -
Static second-hyperpolarizability of diffuse electron cyclic compounds M2A2 (M = Be, Mg, Ca; A = Li, Na, K): Effect of basis set and electron correlation
(2019)In the present work, a number of cyclic planar molecules M2A2 (M = Be, Mg, Ca; A = Li, Na, K)are considered to calculate second-hyperpolarizability using HF, MP2, CCSD, CCSD(T)and DFT methods and 6-311++G(d,p), Sadlej-pVTZ, ...