about
Stepwise hydration of protonated carbonic acid: a theoretical study.Structural characterization and molecular order of rodlike mesogens with three- and four-ring core by XRD and 13C NMR spectroscopy.Ab Initio and DFT Studies on CO2 Interacting with Zn(q+)-Imidazole (q=0, 1, 2) Complexes: Prediction of Charge Transfer through σ- or π-Type Models.Structure, Spectroscopy, and Bonding within the Zn(q+)-Imidazole(n) (q = 0, 1, 2; n = 1-4) Clusters and Implications for Zeolitic Imidazolate Frameworks and Zn-Enzymes.Characterization of Zn(q+)-imidazole (q = 0, 1, 2) organometallic complexes: DFT methods vs. standard and explicitly correlated post-Hartree-Fock methods.Role of size and shape selectivity in interaction between gold nanoclusters and imidazole: a theoretical study.Ab initio and density functional theory (DFT) studies on triflic acid with water and protonated water clusters.Insights on the interaction of Zn2+ cation with triazoles: Structures, bonding, electronic excitation and applications.Microscopic investigations of site and functional selectivity of triazole for CO2 capture and catalytic applications.Benzene-water (BZWn (n = 1-10)) clusters.Structure, stability and spectral signatures of monoprotic carborane acid-water clusters (CBW(n), where n = 1-6)Studies on the structure, stability, and spectral signatures of hydride ion-water clustersDetermination of 13C chemical shift anisotropy tensors and molecular order of 4-hexyloxybenzoic acidCarbon dioxide interaction with isolated imidazole or attached on gold clusters and surface: competition between σ H-bond and π stacking interactionTheoretical Insights into the Role of Water Molecules in the Guanidinium-Based Protein Denaturation Process in Specific to Aromatic Amino AcidsTwisted Eigen Can Induce Proton Transfer at a Hydrophobic-Hydrophilic InterfaceMulticomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility studyDensity Functional Theory Studies on Zeolitic Imidazolate Framework-8 and Ionic Liquid-Based Composite MaterialsAdsorption of Hydrophobic and Hydrophilic Ionic Liquids at the Au(111) SurfaceThe first microsolvation step for furans: New experiments and benchmarking strategies
P50
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P50
description
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Muthuramalingam Prakash
@ast
Muthuramalingam Prakash
@en
Muthuramalingam Prakash
@es
Muthuramalingam Prakash
@nl
Muthuramalingam Prakash
@sl
type
label
Muthuramalingam Prakash
@ast
Muthuramalingam Prakash
@en
Muthuramalingam Prakash
@es
Muthuramalingam Prakash
@nl
Muthuramalingam Prakash
@sl
prefLabel
Muthuramalingam Prakash
@ast
Muthuramalingam Prakash
@en
Muthuramalingam Prakash
@es
Muthuramalingam Prakash
@nl
Muthuramalingam Prakash
@sl
P108
P1053
B-3514-2008
P106
P108
P31
P3829
P496
0000-0002-1886-7708
P569
2000-01-01T00:00:00Z