Conductive MOF on ZIF-derived carbon fibers as superior anode in sodium-ion battery
H Dai, Y Xu, Y Han, S Sun, X Zhang… - … Applied Materials & …, 2023 - ACS Publications
Superior specific capacity, high-rate capability, and long-term cycling stability are essential
to anode materials in sodium-ion batteries, and conductive metal–organic frameworks …
to anode materials in sodium-ion batteries, and conductive metal–organic frameworks …
Chalcogen··· Chalcogen Bonding in Molybdenum Disulfide, Molybdenum Diselenide and Molybdenum Ditelluride Dimers as Prototypes for a Basic Understanding of …
An attempt was made, using computational methods, to understand whether the
intermolecular interactions in the dimers of molybdenum dichalcogenides MoCh2 (Ch …
intermolecular interactions in the dimers of molybdenum dichalcogenides MoCh2 (Ch …
An approximation to the vibrational coupled-cluster method for CH-stretching of large molecules: application to naphthalene and anthracene
N Palanisamy, S Banik - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
We propose an approximation to the vibrational coupled-cluster method (VCCM) to describe
the CH-stretching region of the vibrational spectrum of large molecules. The vibrational …
the CH-stretching region of the vibrational spectrum of large molecules. The vibrational …
A failure of double hybrid density functional method: Out‐of‐plane bending vibrations for the carbon‐carbon double‐bonded molecules
L Ravichandran - International Journal of Quantum Chemistry, 2024 - Wiley Online Library
In this work, we report anomalous descriptions of bending modes of the carbon–carbon
double bonded molecules with double hybrid density functional theories. The harmonic …
double bonded molecules with double hybrid density functional theories. The harmonic …
Raman and Infrared Spectral Analysis, Normal Coordinate Analysis, DFT calculations of Novel Schiff Base Containing di-imine moieties
A Nasser, MA Migahed, NM EL Basiony… - Egyptian Journal of …, 2023 - journals.ekb.eg
The Raman (3500− 100 cm-1) and mid-infrared (4000− 400 cm-1) spectra in addition to the
1H NMR chemical shifts (δ, ppm) of ((N1Z, N4E)-N1, N4-bis (4 (dimethylamino) benzylidene) …
1H NMR chemical shifts (δ, ppm) of ((N1Z, N4E)-N1, N4-bis (4 (dimethylamino) benzylidene) …