Electrostatics-Assisted Building-Up Procedure for Capturing Energy Minima of Metal Clusters: Test Case of Agn Clusters-Reference-Cited by-同舟云学术

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Electrostatics-Assisted Building-Up Procedure for Capturing Energy Minima of Metal Clusters: Test Case of Agn Clusters

Published:2019-08-21 Issue:36 Volume:123 Page:7872-7880
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Ahuja Prateek¹,Molayem Mohammad²,Gadre Shridhar R.³^ORCID

Affiliation:

1. Department of Chemical Sciences, IISER Mohali, Sector-81, Mohali 140306, India

2. Physical and Theoretical Chemistry, Saarland University, Saarbrücken 66123, Germany

3. Interdisciplinary School of Scientific Computing and Department of Chemistry, Savitribai Phule Pune University, Pune 411007, India

Funder

Indian Institute of Science Education and Research Mohali

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b05601

Reference64 articles.

1. Atomic and Molecular Clusters

2. Quantum Chemical Investigations on Molecular Clusters

3. Structure and Properties of Atomic Nanoclusters

4. Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects

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1. Electronic properties and collision cross sections of AgO_kH_m^± (k, m = 1–4) aerosol ionic clusters;Physical Chemistry Chemical Physics;2024

2. DAMQT 3: Advanced suite for the analysis of molecular density and related properties in large systems;Computer Physics Communications;2022-10

3. Interactions of nitric oxide molecules with pure and oxidized silver clusters Agn±/Ag_nO^± (n=11–13): A computational study;The Journal of Chemical Physics;2022-08-21

4. Prediction of Structures and Atomization Energies of Coinage Metals, (M)n, n < 20: Extrapolation of Normalized Clustering Energies to Predict the Cohesive Energy;The Journal of Physical Chemistry A;2020-02-07

5. What Electronic Structure Method Can Be Used in the Global Optimization of Nanoclusters?;The Journal of Physical Chemistry A;2019-11-08

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