Title: Spectroscopically resolved resonant interatomic Coulombic decay in photoexcited large He nanodroplets Authors: L. Ben Ltaief , K. Sishodia, R. ...
Title: Isomerism of CH2SO: Accurate structural, energetic, and spectroscopic characterization Authors: Cristina Puzzarini, Hexu ...
Title: Linear-Structure Single-Atom Gold(I) Catalyst for Dehydrogenative Coupling of Organosilanes with Alcohols Authors: Ravishankar ...
Title: Unusual Dynamics and Vibrational Fingerprints of van der Waals Dimers Formed by Linear Molecules ...
Title: Temperature-Dependent Line-Broadening Effects in CO2 Caused by Ar Authors: Jamel Salem, Roland Tóbiás, Attila G. ...
Title: Insights into the Molecular Structure and Spectroscopic Properties of HONCO: An Accurate Ab Initio ...
Title: Conformational flexibility of spermidine3+ interacting with DNA double helix Authors: Sergiy Perepelytsya, Tudor Vasiliu , Aatto Laaksonen, Leon De ...
Title:H2O–HCN complex: A new potential energy surface and intermolecular rovibrational states from rigorous quantum calculations Authors: Patricia Vindel-Zandbergen, Dariusz Kędziera, ...
The Resolution of Identity (RI) technique has been employed to speed up the use of hybrid exchange-correlation (xc) functionals at the TDDFT level using the Hybrid Diagonal Approximation. The RI has b...
Title: Collisional excitation of PO + by para-H2: potential energy surface, scattering calculations, and astrophysical ...
