Characteristic Substitution Shift Model (CSSM) in the CCFDF (Charge-Charge Flux-Dipole Flux) model for the dipole moment derivatives of molecules X2CY (X = F, cl; Y = O, S)
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Physics"
DOI: 10.1016/j.chemphys.2020.110830
Abstract: Abstract In the spectroscopic study of the X2CY molecules, the dipole moment derivative model Charge – Charge Flux - Dipole Flux (CCFDF) derived from the QTAIM theory was used to verify if the CSSM (Characteristic… read more here.
Keywords: charge flux; charge; model; dipole moment ... See more keywords
Accurate description of molecular dipole surface with charge flux implemented for molecular mechanics
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Chemical Physics"
DOI: 10.1063/5.0016376
Abstract: The molecular dipole moment is strongly coupled to molecular geometry among different phases, conformational states, intermolecular interaction energy, and vibrational spectroscopy. Our previous inclusion of geometry dependent charge flux into the atomic multipole-based polarizable AMOEBA+… read more here.
Keywords: molecular dipole; charge flux; dipole; geometry ... See more keywords
Apical Charge Flux-Modulated In-Plane Transport Properties of Cuprate Superconductors.
Sign Up to like & getrecommendations! Published in 2018 at "Physical review letters"
DOI: 10.1103/physrevlett.121.157001
Abstract: For copper-based superconductors, the maximum superconducting transition temperature T_{c,max} of different families measured from experiment can vary from 38 K in La_{2}CuO_{4} to 135 K in HgBa_{2}Ca_{2}Cu_{3}O_{8} at the optimal hole doping concentration. We demonstrate herein, using… read more here.
Keywords: modulated plane; flux modulated; charge flux; charge ... See more keywords
Analytical Solutions for Charge and Flux in HP Ideal Generic Memristor Model With Joglekar and Prodromakis Window Functions
Sign Up to like & getrecommendations! Published in 2024 at "IEEE Access"
DOI: 10.1109/access.2024.3424568
Abstract: This paper presents, for the first time, analytical solutions for the charge and flux as a function of the state variable in the case of the HP memristor, modeled as an ideal generic memristor with… read more here.
Keywords: memristor; solutions charge; window; ideal generic ... See more keywords