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Research article

First published 2012-10

Ground-State Features in the THz Spectra of Molecular Clusters of β-HMX

Lulu Huang, Andrew Shabaev, Samuel G. Lambrakos [...]

Applied Spectroscopy

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Research article

First published 2021-4

Hydration and Ion-Pair Formation of NaNO 3 (aq): A Vibrational Spectroscopic and Density Functional Theory Study

Wolfram W. Rudolph, Dieter Fischer, Gert Irmer

Applied Spectroscopy

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Research article

First published 2012-7

Cooperative efects on the formation of 4-methyloxycarbonyl-2-azetidinone clusters

Luis E. Seijas, Rafael Almeida, Luis Rincón [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2007-9

Na N + (N ⩽ 12) clusters fragmentation channels: A conceptual DFT approach

Gregorio Guzmán-Ramírez, Agustín Segovia-Ríos, Jorge Sierra-Arellano [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2007-5

Prediction of structures and related properties of silicon clusters

Marta B. Ferraro

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2004-11

A sequential Monte Carlo/Quantum Mechanics study of the dipole polarizability of liquid benzene

Eudes E. Fileti, Sylvio Canuto

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2014-1

Cooperative effects on the formation of supramolecular synthons of thiohydantoin derivatives

Luis E. Seijas, Rafael Almeida, Asiloé J. Mora [...]

Journal of Computational Methods in Sciences and Engineering

Open access

Research article

First published 2024-9

Prediction of cluster energy of lithium clusters from codescriptors with application in 2D porous graphene

Parvez Ali, Omar MA Alhabib, Sultan K AlSulaim

Advances in Mechanical Engineering

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Research article

First published 2007-9

Aromaticity in alkali metal clusters: Role of the metalloligand and the size of the metal ion

Snehadrinarayan Khatua, Debesh R. Roy, Manish Bhattacharjee [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2004-8

Static Dipole Polarizability of o-,m- and p-Benzyne isomers: Ab initio,DFT and CCSD calculations

Humberto Soscún, Carlos Toro-Mendoza, Esker Chacín [...]

Journal of Computational Methods in Sciences and Engineering

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