Covalent organic frameworks: topological characterizations, spectral patterns and graph entropies Micheal ArockiarajJoseph JencyKrishnan Balasubramanian Original Paper 03 May 2023 Pages: 1633 - 1664
A possible way to quantify the philicity using molecular quantum similarity and chemical reactivity indices Alejandro Morales-Bayuelo Original Paper 09 May 2023 Pages: 1665 - 1671
Applicability of noninteger bessel type orbital basis sets: numerical and analytical approaches M. CoşkunM. Ertürk Original Paper 09 May 2023 Pages: 1672 - 1683
Exact solutions of the Schrödinger equation with a complex periodic potential Shi-Hai DongGuo-Hua Sun Original Paper 26 May 2023 Pages: 1684 - 1695
Accurate and efficient flux-corrected finite volume approximation for the fragmentation problem Jayanta PaulDebdulal GhoshJitendra Kumar Original Paper 05 June 2023 Pages: 1696 - 1716
A modified cusp condition for the single density equations of DFT and orbital-free DFT for atoms Pratim Kumar ChattarajRanita Pal Original Paper 11 June 2023 Pages: 1717 - 1725
An approach to chemical hardness through shannon’s entropy N. Flores-GallegosL. Flores-Gómez Original Paper 11 June 2023 Pages: 1726 - 1738
Graph derivative indices interpretation from the quantum mechanics perspective Ricardo Vivas-ReyesOscar Martínez-SantiagoYovani Marrero-Ponce Original Paper Open access 27 June 2023 Pages: 1739 - 1757
Two different types of kinetics, where the initial rate increases faster or slower than the reactant concentration, can coexist on bell-shaped kinetic dependencies P. F. ZhukS. O. Karakhim Original Paper 05 July 2023 Pages: 1758 - 1796
Two-step, fourteenth-order, phase-fitting procedure with high efficiency and minimal cost for chemical problems Wei BaoChia-Liang LinT. E. Simos Original Paper 06 July 2023 Pages: 1797 - 1823