This is the official repository of the modern open-source version of MOPAC, which is now released under an Apache license (versions 22.0.0 through 23.0.3 are available under an LGPL license). This is ...

Organic light-emitting diodes (OLEDs) have become a cornerstone in display and lighting technologies, driving the demand for efficient organic thermally activated delayed fluorescence (TADF) materials ...

School of Chemistry, Xi’an Jiaotong University, Engineering Research Center of Energy Storage Materials and Devices, Ministry of Education, Xi’an 710049, China School of Chemistry, Xi’an Jiaotong ...

Orion Space Solutions is building the Tetra-5 constellation for Space Force experiments to demonstrate autonomous rendezvous, proximity operations and docking for on-orbit refueling. (Credit: Orion ...

I'm currently working on visualizing 4-component SCF molecular orbitals. I've attempted using both molden and cube file formats, but both seem to require real numbers. Converting complex molecular ...

Due to the lapse in federal government funding, NASA is not updating this website. This simplified diagram of an exoplanet phase curve shows the change in total brightness of a star–planet system as ...

In chemistry, understanding the stability and bonding strength of molecules is crucial for predicting their behavior and properties. One important factor that affects the bond strength between atoms ...

Beijing National Laboratory for Molecular Sciences, CAS Key Laboratory of Colloid, Interface and Chemical Thermodynamics, CAS Research/Education Center for Excellence in Molecular Sciences, Institute ...

Abstract: In this paper, the quantum chemical calculation was applied to obtain the effects of DMP-30 contents on the molecular orbital energy level distribution of anhydride cured epoxy resin. When ...

Scientists have discovered that cervical cancer can be divided into two distinct molecular subgroups – one far more aggressive than the other – offering hope of better understanding and treatment of ...