|
Experimental and ONIOM computational evaluation of DNA- and BSA-binding and cytotoxic activity of a mononuclear Pd(II) complex with piroxicam
|
# |
|
Journal |
|
Theoretical Modeling of the Chirality Discrimination of Enantiomers by Nanotubular Cyclic Peptides using Gas-Phase PhotoelectronSpectroscopy An ONIOM Spectroscopic Calculations
|
# |
|
Journal |
|
Linear Yukawa Isotherm Regularity for dense fluids derived based on the perturbation theory
|
# |
|
Journal |
|
Regioselective Heck reaction catalyzed by Pd nanoparticles immobilized on DNA-modified MWCNTs
|
# |
|
Journal |
|
Electrocatalytic reduction of CO2 to CO by a mononuclear Ru(II) complex
|
# |
|
Journal |
|
Molecular thermodynamic modeling of ionic liquids using the perturbation-based linear Yukawa isotherm regularity
|
# |
|
Journal |
|
Towards new thermodynamic regularities for dense fluids based on the effective attraction pair potential via the perturbation theory
|
# |
|
Journal |
|
New potential energy surface and rovibrational spectra of Ar HCl complex An ab initio study
|
# |
|
Journal |
|
Ionization energies electron affinities and binding energies of Li-doped gold nanoclusters
|
# |
|
Journal |
|
Adsorption of some important tautomers of 5-amino tetrazole on the (001) and (101) surfaces of anatase Theoretical study
|
# |
|
Journal |
|
Ionization of vitamin C in gas phase Theoretical study
|
# |
|
Journal |
|
In situ generation of the gold nanoparticles-bovine serum albumin (AuNPseBSA) bioconjugated system using pulsed-laser ablation (PLA)
|
# |
|
Journal |
|
An experimental and quantum chemical study on the non-covalent interactions of a cyclometallated Rh (iii) complex with DNA and BSA
|
# |
|
Journal |
|
Enantiomeric discrimination of leucine enantiomers by nanotubular cyclic peptides DFT and ONIOM calculation of the absorption spectra of guested enantiomers
|
# |
|
Journal |
|
Sodium affinity of caffeine and adenine The effect of microsolvation and electrostatic field of solvent on the sodium affinity
|
# |
|
Journal |
|
investigation of the in situ generation of oxide-free copper nanoparticles using pulsed-laser ablation of bulk copper in aqueous solutions of DNA bases
|
# |
|
Journal |
|
A comparative MP2 study between water- and acid-assisted proton transfer allophanic acid as a case of study
|
# |
|
Journal |
|
Effect of Laser Shock Peening on surface properties and residual stress of Al6061-T6
|
# |
|
Journal |
|
Kinetics mechanism and thermodynamics of reactions of hydrazine with CH3 and OOH radicals
|
# |
|
Journal |
|
The effect of deformation and intermolecular interaction on the absorption spectrum of 5-aminotetrazole and hydrazine A computational molecular spectroscopy study on hydrazinium 5-aminotetrazolate
|
# |
|
Journal |