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A theoretical study of vibronic coupling in the photoelectron spectra of Al 6 N−
This work emphasizes the appearance of non-adiabatic effects in the photoelectron spectra
of Al6N−. It includes ab initio electronic structure calculations obtained on the first seven low …
of Al6N−. It includes ab initio electronic structure calculations obtained on the first seven low …
Vibronic Interactions in the Photoelectron Spectra of CAl3Ge–: A Theoretical Study
This study probes the vibronic interactions in the photoelectron spectra of CAl3Ge–,
exploring its six excited electronic states through an approach that combines the ab initio …
exploring its six excited electronic states through an approach that combines the ab initio …
Unraveling the Photoelectron Spectrum of 1-Phospha-2,3,4-triazolate Anion, HCPN3–, A Theoretical Approach
K Srikanth, A Kumar, RR Tammineni - The Journal of Physical …, 2022 - ACS Publications
The first five low-lying electronic states of HCPN3 are probed through extensive ab initio
electronic structure and quantum dynamics studies to reproduce the 193 nm photoelectron …
electronic structure and quantum dynamics studies to reproduce the 193 nm photoelectron …
Resolving the Experimental Photoelectron Spectra of CAl3Si–
The experimental photoelectron spectra concerning the six electronic states of CAl3Si–are
resolved through electronic structure calculations and quantum nuclear dynamics in this …
resolved through electronic structure calculations and quantum nuclear dynamics in this …
Absorption band structure of the photochromic dimethyldihydropyrene/metacyclophanediene couple. Insight from vibronic coupling theory
R Sarkar, MC Heitz, M Boggio-Pasqua - The Journal of Chemical …, 2022 - pubs.aip.org
A detailed insight behind the structure of absorption bands of the photochromic couple
dimethyldihydropyrene (DHP)/metacyclophanediene (CPD) is studied employing vibronic …
dimethyldihydropyrene (DHP)/metacyclophanediene (CPD) is studied employing vibronic …
Understanding of the Photodetachment Spectrum of Anionic Mixed Carbon–Boron Cluster C3B5– Following Adiabatic and Nonadiabatic Quantum Chemistry …
The presence of nonadiabaticity in the photodetachment bands of the anionic mixed carbon–
boron cluster C3B5–has been realized through ab initio electronic structure calculations and …
boron cluster C3B5–has been realized through ab initio electronic structure calculations and …