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C&EN4d
A Global ab Initio Potential Energy Surface for Formaldehyde
Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322, and Chemistry Division, Argonne National Laboratory, Argonne, Illinois 60439 ...
C&EN6d
Structure, Physicochemical Properties, and Density Functional Theory Calculation of High-Energy-Density Materials Constructed with Intermolecular Interaction: Nitro Group ...
Key Laboratory of Synthetic and Natural Functional Molecular Chemistry of Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi’an 710069, China ‡ School of ...