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On the potentially transformative role of auxiliary-field quantum Monte Carlo in quantum chemistry: A highly accurate method for transition metals and beyond.
Publication Type: Academic Journal
Source(s): Journal of Chemical Physics. 4/14/2023, Vol. 158 Issue 14, p1-11. 11p.
Abstract: Approximate solutions to the ab initio electronic structure problem have been a focus of theoretical and computational chemistry research for much of the past century, with the goal of predicting relevant energy differences to within "chemical accuracy...
Computation of Benzenoid Planar Octahedron Networks by Using Topological Indices.
Publication Type: Academic Journal
Source(s): Mathematical Problems in Engineering. 4/20/2023, p1-16. 16p.
Abstract: Chemical descriptors are numeric numbers that contain a basic chemical structure and describe the structure of a graph. A graph's topological indices are linked to its chemical characteristics. Biological activity of chemical compounds can be predicted...
Optimization of Pregelatinized Taro Boloso-I Starch as a Direct Compression Tablet Excipient.
Publication Type: Academic Journal
Source(s): BioMed Research International. 1/16/2023, p1-15. 15p.
Abstract: Background. Tablets are still the most preferred means of drug delivery. The search for new and improved direct compression tablet excipients is an area of research focus. This is because the direct compression method overcomes the drawbacks of granula...
Development of nonlocal kinetic-energy density functional for the hybrid QM/MM interaction.
Publication Type: Academic Journal
Source(s): Journal of Chemical Physics. 1/7/2023, Vol. 158 Issue 1, p1-13. 13p.
Abstract: Development of the electronic kinetic-energy density functional is a subject of major interest in theoretical physics and chemistry. In this work, the nonlocal kinetic-energy functional is developed in terms of the response function for the molecular s...
Pharmaceutical Assessment of Watermelon Rind Pectin as a Suspending Agent in Oral Liquid Dosage Forms.
Publication Type: Academic Journal
Source(s): BioMed Research International. 11/7/2022, p1-9. 9p.
Abstract: Pectin is a high molecular weight polymer which is present in virtually all plants where it contributes to the cell structure. Pectin is a high valuable food ingredient widely used as a gelling agent and thickening agent with limited use in the pharmac...
The physics of boundary conditions in reaction–diffusion problems.
Publication Type: Academic Journal
Source(s): Journal of Chemical Physics. 12/21/2022, Vol. 157 Issue 23, p1-5. 5p.
Abstract: The use of fully or partially absorbing boundary conditions for diffusion-based problems has become paradigmatic in physical chemistry and biochemistry to describe reactions occurring in solutions or in living media. However, as chemical states may ind...
Comparative Genomic Characterization of Relaxin Peptide Family in Cattle and Buffalo.
Publication Type: Academic Journal
Source(s): BioMed Research International. 10/4/2022, p1-11. 11p.
Abstract: Relaxin family peptides significantly regulate reproduction, nutrient metabolism, and immune response in mammals. The present study aimed to identify and characterize the relaxin family peptides in cattle and buffalo at the genome level. The genomic an...
Exploratory Study to Determine the Effectiveness of Discussion Sessions as a Teaching Strategy on the Concepts of Spontaneity.
Publication Type: Academic Journal
Source(s): Science Education International. 2022, Vol. 33 Issue 4, p422-426. 5p.
Abstract: An exploratory study was to determine the effectiveness of discussion sessions as a teaching strategy of thermodynamics in basic physical chemistry of fundamental concepts in this area as spontaneity by explaining students according to their ideas. A p...
The nature of the chemical bond.
Publication Type: Academic Journal
Source(s): Journal of Chemical Physics; 4/7/2023, Vol. 158 Issue 13, p1-6, 6p
Proximate Composition, Physicochemical, and Lipids Profiling and Elemental Profiling of Rapeseed (Brassica napus L.) and Sunflower (Helianthus annuus L.) Grown in Morocco.
Publication Type: Academic Journal
Source(s): Evidence-based Complementary & Alternative Medicine (eCAM). 9/9/2022, p1-12. 12p. 4 Charts.
Abstract: We investigate and compare the nutritional and physicochemical properties of rapeseed and sunflower grown in Morocco. In order to examine a complete physicochemical characterization, various parameters such as mineral profile, fatty acid composition, s...