The ionic and ground states of gamma-pyrone. The photoionization spectrum studied by
synchrotron radiation and interpreted by configuration interaction and density functional …

In order to rationalize the experimental photodetachment spectra of the fluorenyl anion,
nuclear dynamics studies are performed using adiabatic and non-adiabatic quantum …

A time-dependent vibrational electronic coupled-cluster (VECC) approach is proposed to
simulate photo-electron/UV-VIS absorption spectra as well as time-dependent properties for …

In this article, the theoretical photoionization spectroscopy of the aziridine (C 2 H 5 N)
molecule is investigated. To start with, we have optimized the geometry of this molecule at …

This thesis presents the development of two approaches—thermal normal-ordered
exponential (TNOE) and thermofield coupled cluster (TFCC)—for simulating quantum …

Недавние синхротронные исследования свидетельствуют о наличии вибронного
связывания низколежащих электронных состояний катион-радикала имидазола [1], что …