Chemistry World

The simple machine that visualised atomic orbitals

In 1931, Harvey Elliott White developed a device that traced out the shapes of electron clouds by approximating solutions to the Schrödinger equation The invention of quantum mechanics – a ...
Europe PMC

An atom-in-molecule adaptive polarized valence single-ζ atomic orbital basis for electronic structure calculations.

Many low-cost or semiempirical quantum mechanical-based electronic structure methods suffer from the use of unpolarized minimal atomic orbital (AO) basis sets. In this work, we overcome this ...
C&EN

Simple Hückel Molecular Orbital Theory for Möbius Carbon Nanobelts

The recently synthesized Möbius carbon nanobelts (CNBs) have gained attention owing to their unique π-conjugation topology, which results in distinctive electronic properties with both fundamental and ...
IEEE

Atomic Orbital Search Optimization Based Fractional Order PID Controller for 4 DoF Lower Limb Exoskeleton

Abstract: This paper presents a design of fractional order Proportional-Integral-Derivative (FOPID) controller for a 4 degree-of-freedom (DoF) lower limb exoskeleton (LLE) for motion assistance. The ...
IEEE

An Optimized Question Classification Framework Using Dual-Channel Capsule Generative Adversarial Network and Atomic Orbital Search Algorithm

Abstract: The advancement in education has emphasized the need to evaluate the quality of the examination questions and the cognitive levels of students. Many educational institutions now acknowledge ...