Gas phase studies of carbon dioxide activation have emerged as a pivotal area of research, offering profound mechanistic insights into the transformation of this ubiquitous molecule. Researchers ...

Their representation, which incorporates additional information about (natural bond) orbitals and their interactions, performs better than standard molecular graphs. Computational chemists use ...

O CO2, uma molécula linear constituída por um átomo de carbono duplamente ligado a dois átomos de oxigênio, tem uma forma simples, mas significativa. Essa geometria molecular afeta a forma ...

Materials Innovation Institute for Life Science and Energy (MILES), HKU-SIRI, Shenzhen 518000, P. R. China Department of Mechanical Engineering, The University of Hong Kong, Hong Kong 999077, P. R.

Concretely, the technique constructs active molecular orbitals capable of describing all relevant electronic configurations emerging from a targeted set of atomic valence orbitals (e.g., the metal d ...

She is dean of the Pritzker School of Molecular Engineering at the University of Chicago, which focuses on quantum engineering; materials for sustainability; and immunoengineering. Mason explains how ...

Department of Mechanical Engineering, National Kaohsiung University of Applied Sciences, Kaohsiung 807, Taiwan ...

The long-standing dream of scientists to be able to link molecules together into crystalline, extended (infinite) 2D and 3D structures is now realized by the establishment of reticular chemistry ...