Improvement of Ab Initio Ligand Field Theory by Means of Multistate Perturbation Theory

Ab initio molecular orbital theory

Ab Initio Hamiltonian Approach to Light-Front Quantum Field Theory

Ab initio theory and modeling of water.

Water is of the utmost importance for life and technology. However, a genuinely predictive ab initio model of water has eluded scientists. We demonstrate that a fully ab initio approach, relying on the strongly constrained and appropriately normed (SCAN) density functional, provides such a description of water. SCAN accurately describes the balance among covalent bonds, hydrogen bonds, and van ...

Anti-marketing of Drug Abuse by Means of Grounded Theory

Background and Aims: Nowadays, arbitrary drug use is one of the most important problems in the world, including Iran. Due to the harmful effects of drug abuse, this study aimed to assess the cause of arbitrary use of drugs and anti-marketing strategies for drug use among Referrals to medical centers of social security organization in Ardabil. Methods: This is an applied, objective and a qualita...

Ab initio molecular dynamics: Theory and Implementation

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