Temperature-Dependent Line-Broadening Effects in CO2 Caused by Ar
Title: Temperature-Dependent Line-Broadening Effects in CO2 Caused by Ar Authors: Jamel Salem, Roland Tóbiás, Attila G. ...
Insights into the Molecular Structure and Spectroscopic Properties of HONCO: An Accurate Ab Initio Study
Title: Insights into the Molecular Structure and Spectroscopic Properties of HONCO: An Accurate Ab Initio ...
H2O–HCN complex: A new potential energy surface and intermolecular rovibrational states from rigorous quantum calculations
Title:H2O–HCN complex: A new potential energy surface and intermolecular rovibrational states from rigorous quantum calculations Authors: Patricia Vindel-Zandbergen, Dariusz Kędziera, ...
Conformational flexibility of spermidine3+ interacting with DNA double helix
Title: Conformational flexibility of spermidine3+ interacting with DNA double helix Authors: Sergiy Perepelytsya, Tudor Vasiliu , Aatto Laaksonen, Leon De ...
A Resolution of Identity Technique to Speed up TDDFT with Hybrid Functionals: Implementation and Application to the Magic Cluster Series Au8n+4(SC6H5)4n+8 (n = 3–6)
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...
New Open Position: Social Media Manager
¡CLOSED! New Open Position: Social Media Manager The Social Media Manager (SMM) will contribute to create and curate ...
