Theoretical Rovibrational Spectroscopy of Magnesium Tricarbide–Multireference Character Thwarts a Full Analysis of All Isomers
DA Agbaglo, Q Cheng, RC Fortenberry… - The Journal of …, 2022 - ACS Publications
Magnesium tricarbide isomers are studied herein with coupled cluster theory and
multireference configuration interaction to support their possible detection in astrochemical …
multireference configuration interaction to support their possible detection in astrochemical …
The spectral features and detectability of small, cyclic silicon carbide clusters
CM Sehring, CZ Palmer, BR Westbrook… - Frontiers in Astronomy …, 2022 - frontiersin.org
Rovibrational spectral data for several tetra-atomic silicon carbide clusters (TASCCs) are
computed in this work using a CCSD (T)-F12b/cc-pCVTZ-F12 quartic force field. Accurate …
computed in this work using a CCSD (T)-F12b/cc-pCVTZ-F12 quartic force field. Accurate …
[HTML][HTML] Electronic structure of NdO via slow photoelectron velocity-map imaging spectroscopy of NdO---
Electronically excited NdO is a possible product of the chemistry associated with the release
of Nd into the ionosphere, and emission from these states may contribute to the observations …
of Nd into the ionosphere, and emission from these states may contribute to the observations …
Structure and photochemistry of a potential precursor of circumstellar dust: The optical spectrum of Si4C2+
M Förstel, RG Radloff, K Pollow, T Studemund… - Journal of Molecular …, 2021 - Elsevier
Mixed silicon carbide clusters are important components of circumstellar shells and their
optical properties are fundamental for modelling the chemistry involved in the evolution of …
optical properties are fundamental for modelling the chemistry involved in the evolution of …
[HTML][HTML] Unveiling the coexistence of cis-and trans-isomers in the hydrolysis of ZrO2: A coupled DFT and high-resolution photoelectron spectroscopy study
High-resolution anion photoelectron spectroscopy of the ZrO 3 H 2− and ZrO 3 D 2− anions
and complementary electronic structure calculations are used to investigate the reaction …
and complementary electronic structure calculations are used to investigate the reaction …
Unveiling the coexistence of structural isomers in the hydrolysis of ZrO2: A combined computational and photoelectron spectroscopy study
High-resolution anion photoelectron spectroscopy of the ZrO3H2-and ZrO3D2-anions and
complementary electronic structure calculations are used to investigate the reaction …
complementary electronic structure calculations are used to investigate the reaction …