Intermolecular hydrogen bonding in DNA base pairs interacting with different numbers of bare and hydrated Li+: NBO, QTAIM, and computational spectroscopic studies |
NULL |
1403 |
03 |
Journal |
Theoretical Spectroscopic Study of Normal Raman and Charge Transfer Surface-Enhanced Raman Scattering (SERS) Spectra of the Adsorbed <scp>l</scp>- and <scp>d</scp>-Cysteine on the Chiral Au<sub>34</sub> and Ag<sub>4</sub>@Au<sub>30</sub> Nanocluster… |
10.1021/acs.jpca.4c00699 |
1403 |
01 |
Journal |
Fabrication and photo/electrochemical properties of cobalt-manganese binary metal sulfides deposited on titania nanotubes: Efficient and stable photoelectrodes for photo-assisted charging supercapacitors |
10.1016/j.est.2023.109666 |
1402 |
12 |
Journal |
Investigation of the effect of polarization between a solvated biomolecule and solvent on the biomolecule ionization energy using the SAC-CI method in the ONIOM scheme: Ascorbic acid in water |
10.1016/j.jphotochem.2023.115153 |
1402 |
10 |
Journal |
The adsorption of sulfur mustard chemical warfare agent on the Ga12N12 and Ga12O12 nanocages A systematic DFT study |
NULL |
1402 |
09 |
Journal |
Ionization of ascorbic acid in the presence of the first coordination shell of water: The effects of the conformational change, hydrogen bonding, and electrostatic interaction on the ionization energy |
10.1016/j.molliq.2023.123341 |
1402 |
09 |
Journal |
Theoretical study of the electronic structure of the complexes of gold, silver, and copper mono- and bimetallic nanoclusters decorated on graphitic carbon nitride (g-C3N4): DFT and TD-DFT studies of photocatalytic activity |
NULL |
1402 |
08 |
Journal |
Preparation of photo-rechargeable asymmetric supercapacitors using S,W-codoped titania: Experimental and theoretical insights |
10.1016/j.jallcom.2023.170722 |
1402 |
07 |
Journal |
A curcumin-nicotinoyl derivative and its transition metal complexes: synthesis, characterization, and in silico and in vitro biological behaviors |
10.1039/d3dt01351k |
1402 |
07 |
Journal |
Preparation of Iron and Chromium Co-Doped TiO2 Nanotubes and Study of Their Photoelectrochemical Properties |
10.1007/s11664-023-10596-3 |
1402 |
05 |
Journal |
Electrocatalytic and photocatalytic activity of a nickel (II) quinacridone complex |
10.1016/j.matchemphys.2023.127823 |
1402 |
04 |
Journal |
Charge Transfer Surface-Enhanced Raman and Absorption Spectra of the Zwitterionic Form of Cysteine Adsorbed on M@Au12 (M = Au, Ag, Pt, and Pd) Nanoclusters |
NULL |
1402 |
01 |
Journal |
A combined experimental and theoretical study of RuO<sub>2</sub>/TiO<sub>2</sub> heterostructures as a photoelectrocatalyst for hydrogen evolution |
10.1039/d2dt04123e |
1401 |
11 |
Journal |
Simultaneous Immunomodulation and Tissue Protection on the Rheumatoid Arthritis Models Using a Tragacanth Frankincense-Based Core-Shell Nanostructure |
10.1021/acsanm.2c05135 |
1401 |
11 |
Journal |
Substrate-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry of Some Small Biomolecules Using TiO2?Nanotubes: The Effect of Nanotube Diameter and Salt Addition |
NULL |
1401 |
10 |
Journal |
Interaction between the Human OX2 Orexin Receptor and Suvorexant and Some of Its Analogues: SAPT (DFT) Interaction Energy Decomposition Analysis |
NULL |
1401 |
06 |
Journal |
Be2C monolayer as an efficient adsorbent of toxic voletaile organic compound. theoretical investigation |
NULL |
1401 |
06 |
Journal |
Theoretical study of the mechanism of Te (g)?+3F<sub>2</sub> (g)?TeF<sub>6</sub> (g) |
10.1080/00268976.2022.2059411 |
1401 |
02 |
Journal |
Imine-Linked Covalent Organic Framework with a Naphthalene Moiety as a Sensitive Phosphate Ion Sensing |
10.1021/acsami.1c24555 |
1401 |
02 |
Journal |
Novel octanuclear copper(I) clusters [Cu8{(N)-(?4-S)}4(?3-I)2I2(PPh3)2] produced via reductive S-S bond cleavage of disulfide Schiff base ligands and their use as efficient heterogeneous catalysts in CuAAC click reaction |
NULL |
1401 |
01 |
Journal |