International Journal of Quantum Chemistry
Density Functional Study on the Structures and Adsorption Properties of PtAgn (n = 1–16) Clusters
International Journal of Quantum Chemistry, Volume 125, Issue 5, March 5, 2025.
International Journal of Quantum Chemistry
Sustainable Synthesis, DFT, Docking and In Vitro Evaluation of 6‐Mercaptopurine Syringic Acid Cocrystal: A Potent Drug for Breast Cancer Therapy
International Journal of Quantum Chemistry, Volume 125, Issue 5, March 5, 2025.
International Journal of Quantum Chemistry
Exploring Graphitic Carbon Nitride as Novel Drug Delivery System for Hesperetin (Anticancer Drug): Insights From DFT Calculations and Molecular Dynamics Simulations
International Journal of Quantum Chemistry, Volume 125, Issue 5, March 5, 2025.
International Journal of Quantum Chemistry
Issue Information
International Journal of Quantum Chemistry, Volume 125, Issue 5, March 5, 2025.
International Journal of Quantum Chemistry
ISI Energy Change Due to an Edge Deletion
International Journal of Quantum Chemistry, Volume 124, Issue 22, November 15, 2024.
International Journal of Quantum Chemistry
First‐Principles Study on Electronic and Optical Properties of Novel Potential Photocatalytic Water‐Splitting Material: Blue‐P/Hf2CO2 vdW Heterostructure
International Journal of Quantum Chemistry, Volume 124, Issue 22, November 15, 2024.
International Journal of Quantum Chemistry
Solution of Schrödinger Equation for Simple Diatomic Molecules Using One‐Parameter 1s Slater‐Type Orbitals Wave Function
International Journal of Quantum Chemistry, Volume 124, Issue 22, November 15, 2024.
International Journal of Quantum Chemistry
Investigation of the Optoelectronic, γ‐Attenuation, and Thermodynamic Properties of Novel MnGa2P3H4NO14 for Energy Applications: A DFT Study
International Journal of Quantum Chemistry, Volume 124, Issue 22, November 15, 2024.
International Journal of Quantum Chemistry
Performance of Minnesota Functionals on Vibrational Frequency
International Journal of Quantum Chemistry, Volume 124, Issue 22, November 15, 2024.
International Journal of Quantum Chemistry
Issue Information
International Journal of Quantum Chemistry, Volume 124, Issue 22, November 15, 2024.