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The quest for the best nonpolarizable water model from the adaptive force matching method

Journal of computational chemistry, 2011-02, Vol.32 (3), p.453-462

2011

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Effects of the dispersion interaction in liquid water

Chemical physics letters, 2011-09, Vol.513 (1), p.59-62

2011

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Thiocyanate-induced N-activation and nucleophilic 1,2-dearomatization of pyridinedicarbonyl dichloride: a synthetic route to a novel 1,2-dihydropyridine-based heterocyclic compound

Journal of the Iranian Chemical Society, 2023-10, Vol.20 (10), p.2657-2664

2023

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Effects of sintering temperature on the filtration and mechanical properties of ceramic water filters

Cogent engineering, 2022-12, Vol.9 (1)

2022

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Hydroxyapatite and bone particle-doped ceramic water filters for the removal of fluoride and bacteria

Cogent engineering, 2022-12, Vol.9 (1)

2022

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Three-Body Contribution to the Helium Interaction Potential

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-11, Vol.111 (44), p.11311-11319

2007

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Contribution of the Induced-Dipole Interaction to Methane Aggregation in Water

The journal of physical chemistry. B, 2022-04, Vol.126 (13), p.2552-2556

Akin-Ojo, Omololu

2022

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First principles predictions of superconductivity in doped stanene

Computational materials science, 2016-06, Vol.118, p.11-15

2016

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Efficient determination of excitation energies and absorption spectra for quantum dots and large systems from ab initio data

Chemical physics letters, 2019-04, Vol.721, p.12-17

2019

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Does a pair of methane molecules aggregate in water?

The Journal of chemical physics, 2019-02, Vol.150 (8), p.084501-084501

2019

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Developing ab initio quality force fields from condensed phase quantum-mechanics/molecular-mechanics calculations through the adaptive force matching method

The Journal of chemical physics, 2008-08, Vol.129 (6), p.064108-064108-11

2008

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oeINDO: Efficient determination of excitation energies and UV–Vis absorption spectra of nano-sized Zn, Cd, S and their complexes

Computational and theoretical chemistry, 2023-05, Vol.1223, p.114096, Article 114096

2023

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Parametric retrieval model for estimating aerosol size distribution via the AERONET, LAGOS station

Environmental pollution (1987), 2015-12, Vol.207, p.381-390

2015

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How well can polarization models of pairwise nonadditive forces describe liquid water?

The Journal of chemical physics, 2013-01, Vol.138 (2), p.024316-024316

2013

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First principles prediction of the electronic structure and carrier mobilities of biaxially strained molybdenum trioxide (MoO3)

Journal of applied physics, 2016-08, Vol.120 (5)

2016

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DFT investigation of the electronic and optical properties of hexagonal MX 2 /ZrXO (M = W, Mo and X = S, Se) van der Waals heterostructures for photovoltaic solar cell application

RSC advances, 2022-10, Vol.12 (47), p.30838-30845

2022

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Ab Initio Water Pair Potential with Flexible Monomers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-03, Vol.119 (12), p.2940-2964

2015

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Potential energy surface and second virial coefficient of methane-water from ab initio calculations

The Journal of chemical physics, 2005-10, Vol.123 (13), p.134311-134311-19

2005

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DFT investigation of the electronic and optical properties of hexagonal MX2/ZrXO (M = W, Mo and X = S, Se) van der Waals heterostructures for photovoltaic solar cell application

RSC advances, 2022-10, Vol.12 (47), p.30838-30845

2022

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Correcting for dispersion interaction and beyond in density functional theory through force matching

The Journal of chemical physics, 2010-11, Vol.133 (17), p.174115-174115-10

2010

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Note: Second virial coefficient of the water-hydrogen complex from an explicitly correlated potential energy surface

The Journal of chemical physics, 2011-09, Vol.135 (11), p.116101-116101-2

2011

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Optical properties of ZnO/Al/ZnO multilayer films for large area transparent electrodes

Journal of materials research, 2014-12, Vol.29 (24), p.2912-2920

2014

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DFT investigation of the electronic and optical properties of hexagonal MX/ZrXO (M = W, Mo and X = S, Se) van der Waals heterostructures for photovoltaic solar cell application

RSC advances, 2022-10, Vol.12 (47), p.3838-3845

2022

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Electronic structure and magnetism of the triple-layered ruthenate Sr 4 Ru 3 O 10

Physical review. B, 2022-04, Vol.105 (16), Article 165119

2022

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Approaching post-Hartree-Fock quality potential energy surfaces with simple pair-wise expressions: parameterising point-charge-based force fields for liquid water using the adaptive force matching method

Molecular simulation, 2011-06, Vol.37 (7), p.591-605

2011

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The quest for the best nonpolarizable water model from the adaptive force matching method

Effects of the dispersion interaction in liquid water

Thiocyanate-induced N-activation and nucleophilic 1,2-dearomatization of pyridinedicarbonyl dichloride: a synthetic route to a novel 1,2-dihydropyridine-based heterocyclic compound

Effects of sintering temperature on the filtration and mechanical properties of ceramic water filters

Hydroxyapatite and bone particle-doped ceramic water filters for the removal of fluoride and bacteria

Three-Body Contribution to the Helium Interaction Potential

Contribution of the Induced-Dipole Interaction to Methane Aggregation in Water

First principles predictions of superconductivity in doped stanene

Efficient determination of excitation energies and absorption spectra for quantum dots and large systems from ab initio data

Does a pair of methane molecules aggregate in water?

Developing ab initio quality force fields from condensed phase quantum-mechanics/molecular-mechanics calculations through the adaptive force matching method

oeINDO: Efficient determination of excitation energies and UV–Vis absorption spectra of nano-sized Zn, Cd, S and their complexes

Parametric retrieval model for estimating aerosol size distribution via the AERONET, LAGOS station

How well can polarization models of pairwise nonadditive forces describe liquid water?

First principles prediction of the electronic structure and carrier mobilities of biaxially strained molybdenum trioxide (MoO3)

DFT investigation of the electronic and optical properties of hexagonal MX 2 /ZrXO (M = W, Mo and X = S, Se) van der Waals heterostructures for photovoltaic solar cell application

Ab Initio Water Pair Potential with Flexible Monomers

Potential energy surface and second virial coefficient of methane-water from ab initio calculations

DFT investigation of the electronic and optical properties of hexagonal MX2/ZrXO (M = W, Mo and X = S, Se) van der Waals heterostructures for photovoltaic solar cell application

Correcting for dispersion interaction and beyond in density functional theory through force matching

Note: Second virial coefficient of the water-hydrogen complex from an explicitly correlated potential energy surface

Optical properties of ZnO/Al/ZnO multilayer films for large area transparent electrodes

DFT investigation of the electronic and optical properties of hexagonal MX/ZrXO (M = W, Mo and X = S, Se) van der Waals heterostructures for photovoltaic solar cell application

Electronic structure and magnetism of the triple-layered ruthenate Sr 4 Ru 3 O 10

Approaching post-Hartree-Fock quality potential energy surfaces with simple pair-wise expressions: parameterising point-charge-based force fields for liquid water using the adaptive force matching method

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