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Computational Screening for ORR Activity of 3d Transition Metal Based M@Pt Core–Shell Clusters

Journal of physical chemistry. C, 2019-02, Vol.123 (6), p.3634-3644

2019

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Functional cyclophanes: Promising hosts for optical biomolecular recognition

Chemical Society reviews, 2010-11, Vol.39 (11), p.4158-4168

2010

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Recent advancements in Pt-nanostructure-based electrocatalysts for the oxygen reduction reaction

Catalysis science & technology, 2019, Vol.9 (18), p.4835-4863

2019

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Elucidating Mechanistic Origin of the Catalytic Activity of the Fe(111) Surface and Nanoclusters toward the Electrochemical Nitrogen Reduction Reaction

Journal of physical chemistry. C, 2020-09, Vol.124 (37), p.20193-20202

2020

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Accounting for Dispersion Effects in the DFT Framework of Electrocatalysis: A Hybrid Solvation Model-Based Case Study of the Oxygen Reduction Reaction

Journal of physical chemistry. C, 2022-04, Vol.126 (14), p.6171-6188

2022

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Mechanistic Study of Solvent-Mediated Oxygen Reduction Reaction/Oxygen Evolution Reaction for Li-Air Battery Applications

Journal of physical chemistry. C, 2023-06, Vol.127 (21), p.10069-10076

2023

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Relativistic Effects in Platinum Nanocluster Catalysis: A Statistical Ensemble-Based Analysis

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-03, Vol.126 (8), p.1345-1359

2022

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Size Evolution Dynamics of Gold Nanoclusters at an Atom-Precision Level: Ligand Exchange, Growth Mechanism, Electrochemical, and Photophysical Properties

The journal of physical chemistry letters, 2020-03, Vol.11 (5), p.1781-1788

2020

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Optimization of Triplet Excited State and Singlet Oxygen Quantum Yields of Picolylamine–Porphyrin Conjugates through Zinc Insertion

The journal of physical chemistry. B, 2013-10, Vol.117 (43), p.13515-13522

2013

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Computational strategies to address the catalytic activity of nanoclusters

Wiley interdisciplinary reviews. Computational molecular science, 2021-07, Vol.11 (4), p.e1508-n/a

2021

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Role of atomicity in the oxygen reduction reaction activity of platinum sub nanometer clusters: A global optimization study

Journal of computational chemistry, 2021-10, Vol.42 (27), p.1944-1958

2021

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[CuH(S-Adm)(PPh)Cl]: fusion of Platonic and Johnson solids through a Cu(0) center and its photophysical properties

Chemical science (Cambridge), 2022-06, Vol.13 (25), p.7616-7625

2022

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Computational Screening of Electrocatalytic Activity of Transition Metal-Doped CdS Nanotubes for Water Splitting

Journal of physical chemistry. C, 2019-06, Vol.123 (22), p.13419-13427

2019

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Synergistic Effect of Bridging Thiolate and Hub Atoms for the Aromaticity Driven Symmetry Breaking in Atomically Precise Gold Nanocluster

The journal of physical chemistry letters, 2020-12, Vol.11 (23), p.10052-10059

2020

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Identification of Intermediate Au22(SR)4(SR′)14 Cluster on Ligand-Induced Transformation of Au25(SR)18 Nanocluster

The journal of physical chemistry letters, 2019-08, Vol.10 (16), p.4571-4576

2019

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Unraveling the single-atom electrocatalytic activity of transition metal-doped phosphorene

Nanoscale advances, 2020-06, Vol.2 (6), p.241-2421

2020

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Quantification of Shear Strain Development in the Through-Thickness Direction During Sliding Wear

Metallurgical and materials transactions. A, Physical metallurgy and materials science, 2023, Vol.54 (1), p.11-15

2023

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“Visualizing” the partially reversible conversion of gold nanoclusters via the Au23(S-c-C6H11)17 intermediate

Chemical science (Cambridge), 2024-06, Vol.15 (25), p.9823-9829

2024

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A luminescent Cu 4 cluster film grown by electrospray deposition: a nitroaromatic vapour sensor

Nanoscale, 2023-05, Vol.15 (18), p.8141-8147

2023

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Role of Ligand on Photophysical Properties of Nanoclusters with fcc Kernel: A Case Study of Ag14(SC6H4X)12(PPh3)8 (X = F, Cl, Br)

Inorganic chemistry, 2021-12, Vol.60 (24), p.19270-19277

2021

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Control over product formation and thermodynamic stability of thiolate-protected gold nanoclusters through tuning of surface protecting ligands

Nanoscale, 2023-08, Vol.15 (31), p.1312-1319

2023

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A luminescent Cu4 cluster film grown by electrospray deposition: a nitroaromatic vapour sensor

Nanoscale, 2023-05, Vol.15 (18), p.8141-8147

2023

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Defects Engineering on Ceria and C–C Coupling Reactions Using [Au11(PPh3)7I3] Nanocluster: A Combined Experimental and Theoretical Study

ACS nano, 2020-12, Vol.14 (12), p.16681-16688

2020

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Computational Screening of First-Row Transition-Metal Based Alloy Catalysts-Ligand Induced N 2 Reduction Reaction Selectivity

ACS Physical Chemistry Au, 2022-03, Vol.2 (2), p.125-135

2022

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Role of Ligand on Photophysical Properties of Nanoclusters with fcc Kernel: A Case Study of Ag 14 (SC 6 H 4 X) 12 (PPh 3 ) 8 (X = F, Cl, Br)

Inorganic chemistry, 2021-12, Vol.60 (24), p.19270-19277

2021

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Computational Screening for ORR Activity of 3d Transition Metal Based M@Pt Core–Shell Clusters

Functional cyclophanes: Promising hosts for optical biomolecular recognition

Recent advancements in Pt-nanostructure-based electrocatalysts for the oxygen reduction reaction

Elucidating Mechanistic Origin of the Catalytic Activity of the Fe(111) Surface and Nanoclusters toward the Electrochemical Nitrogen Reduction Reaction

Accounting for Dispersion Effects in the DFT Framework of Electrocatalysis: A Hybrid Solvation Model-Based Case Study of the Oxygen Reduction Reaction

Mechanistic Study of Solvent-Mediated Oxygen Reduction Reaction/Oxygen Evolution Reaction for Li-Air Battery Applications

Relativistic Effects in Platinum Nanocluster Catalysis: A Statistical Ensemble-Based Analysis

Size Evolution Dynamics of Gold Nanoclusters at an Atom-Precision Level: Ligand Exchange, Growth Mechanism, Electrochemical, and Photophysical Properties

Optimization of Triplet Excited State and Singlet Oxygen Quantum Yields of Picolylamine–Porphyrin Conjugates through Zinc Insertion

Computational strategies to address the catalytic activity of nanoclusters

Role of atomicity in the oxygen reduction reaction activity of platinum sub nanometer clusters: A global optimization study

[CuH(S-Adm)(PPh)Cl]: fusion of Platonic and Johnson solids through a Cu(0) center and its photophysical properties

Computational Screening of Electrocatalytic Activity of Transition Metal-Doped CdS Nanotubes for Water Splitting

Synergistic Effect of Bridging Thiolate and Hub Atoms for the Aromaticity Driven Symmetry Breaking in Atomically Precise Gold Nanocluster

Identification of Intermediate Au22(SR)4(SR′)14 Cluster on Ligand-Induced Transformation of Au25(SR)18 Nanocluster

Unraveling the single-atom electrocatalytic activity of transition metal-doped phosphorene

Quantification of Shear Strain Development in the Through-Thickness Direction During Sliding Wear

“Visualizing” the partially reversible conversion of gold nanoclusters via the Au23(S-c-C6H11)17 intermediate

A luminescent Cu 4 cluster film grown by electrospray deposition: a nitroaromatic vapour sensor

Role of Ligand on Photophysical Properties of Nanoclusters with fcc Kernel: A Case Study of Ag14(SC6H4X)12(PPh3)8 (X = F, Cl, Br)

Control over product formation and thermodynamic stability of thiolate-protected gold nanoclusters through tuning of surface protecting ligands

A luminescent Cu4 cluster film grown by electrospray deposition: a nitroaromatic vapour sensor

Defects Engineering on Ceria and C–C Coupling Reactions Using [Au11(PPh3)7I3] Nanocluster: A Combined Experimental and Theoretical Study

Computational Screening of First-Row Transition-Metal Based Alloy Catalysts-Ligand Induced N 2 Reduction Reaction Selectivity

Role of Ligand on Photophysical Properties of Nanoclusters with fcc Kernel: A Case Study of Ag 14 (SC 6 H 4 X) 12 (PPh 3 ) 8 (X = F, Cl, Br)

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