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SCC-DFTB Parameters for Fe–C Interactions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-11, Vol.124 (46), p.9674-9682

2020

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Unraveling the structural stability and the electronic structure of ThO clusters

Physical chemistry chemical physics : PCCP, 2020-09, Vol.22 (33), p.18614-18621

2020

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Unraveling the structural stability and the electronic structure of ThO2 clusters

Physical chemistry chemical physics : PCCP, 2020-01, Vol.22 (33), p.18614-18621

2020

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Bonding in exohedral metal-fullerene cationic complexes

RSC advances, 2014-01, Vol.4 (95), p.531-532

2014

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Solvent states and spectroscopy of doped helium clusters as a quantum-chemistry-like problem

Physical chemistry chemical physics : PCCP, 2013-07, Vol.15 (25), p.10126-10140

2013

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Efficient Parameterization of Density Functional Tight-Binding for 5f‑Elements: A Th–O Case Study

Journal of chemical theory and computation, 2024-07, Vol.20 (14), p.5923-5936

2024

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Development of Density Functional Tight-Binding Parameters Using Relative Energy Fitting and Particle Swarm Optimization

Journal of chemical theory and computation, 2020-03, Vol.16 (3), p.1469-1481

2020

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A general approach to study molecular fragmentation and energy redistribution after an ionizing event

Physical chemistry chemical physics : PCCP, 2021-01, Vol.23 (3), p.1859-1867

2021

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Tuning high-harmonic generation by controlled deposition of ultrathin ionic layers on metal surfaces

Physical review. B, 2016-12, Vol.94 (24), Article 245423

2016

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High-Order Harmonic Generation from the Cu(111) surface

Journal of physics. Conference series, 2015-09, Vol.635 (10), p.102010

2015

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Furan Fragmentation in the Gas Phase: New Insights from Statistical and Molecular Dynamics Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-04, Vol.122 (16), p.4153-4166

2018

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M3C: A Computational Approach To Describe Statistical Fragmentation of Excited Molecules and Clusters

Journal of chemical theory and computation, 2017-03, Vol.13 (3), p.992-1009

2017

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Solar disinfection at low costs: an experimental approach towards up-scaled continuous flow systems

H2Open journal, 2022-03, Vol.5 (1), p.153-165

2022

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Estado del arte del conocimiento sobre perifiton en Colombia

Gestión y ambiente, 2013-12, Vol.16 (3), p.91-117

2013

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Graph Theoretical Similarity Approach To Compare Molecular Electrostatic Potentials

Journal of chemical information and modeling, 2008-01, Vol.48 (1), p.109-118

2008

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Theoretical Modeling of Mass Spectrometry

Journal of physics. Conference series, 2015-09, Vol.635 (7), p.72060

2015

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Non-ergodic fragmentation upon collision-induced activation of cysteine-water cluster cations

Physical chemistry chemical physics : PCCP, 2023-02, Vol.25 (7), p.5361-5371

2023

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Methyl Paraben and Carbamazepine in Water and Striped Catfish (Pseudoplatystoma magdaleniatum) in the Cauca and Magdalena Rivers

Bulletin of environmental contamination and toxicology, 2020-12, Vol.105 (6), p.819-826

2020

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Unravelling Coriolis temperature-dependent effects on doped helium clusters: Vib-rotational Raman spectra of (3,4He)4–Cl2(X)

Chemical physics letters, 2013-01, Vol.555 (1), p.12-18

2013

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Physisorption of helium on a TiO2(110) surface: Periodic and finite cluster approaches

Chemical physics, 2012-05, Vol.399 (1), p.272-280

2012

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Fully versus constrained statistical fragmentation of carbon clusters and their heteronuclear derivatives

The Journal of chemical physics, 2019-04, Vol.150 (14), p.144301-144301

2019

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LOWDIN: The any particle molecular orbital code

International journal of quantum chemistry, 2014-01, Vol.114 (1), p.50-56

2014

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Extracellular enzymatic activity of two hydrolases in wastewater treatment for biological nutrient removal

Applied microbiology and biotechnology, 2017-10, Vol.101 (19), p.7385-7396

2017

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Charge and energy sharing in the fragmentation of astrophysically relevant carbon clusters

Theoretical chemistry accounts, 2021-03, Vol.140 (3), Article 22

2021

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Cambios espacio-temporales del plancton en la cienaga de ayapel , durante la epoca de menor nivel del agua

Caldasia, 2012-01, Vol.34 (1), p.213-226

2012

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SCC-DFTB Parameters for Fe–C Interactions

Unraveling the structural stability and the electronic structure of ThO clusters

Unraveling the structural stability and the electronic structure of ThO2 clusters

Bonding in exohedral metal-fullerene cationic complexes

Solvent states and spectroscopy of doped helium clusters as a quantum-chemistry-like problem

Efficient Parameterization of Density Functional Tight-Binding for 5f‑Elements: A Th–O Case Study

Development of Density Functional Tight-Binding Parameters Using Relative Energy Fitting and Particle Swarm Optimization

A general approach to study molecular fragmentation and energy redistribution after an ionizing event

Tuning high-harmonic generation by controlled deposition of ultrathin ionic layers on metal surfaces

High-Order Harmonic Generation from the Cu(111) surface

Furan Fragmentation in the Gas Phase: New Insights from Statistical and Molecular Dynamics Calculations

M3C: A Computational Approach To Describe Statistical Fragmentation of Excited Molecules and Clusters

Solar disinfection at low costs: an experimental approach towards up-scaled continuous flow systems

Estado del arte del conocimiento sobre perifiton en Colombia

Graph Theoretical Similarity Approach To Compare Molecular Electrostatic Potentials

Theoretical Modeling of Mass Spectrometry

Non-ergodic fragmentation upon collision-induced activation of cysteine-water cluster cations

Methyl Paraben and Carbamazepine in Water and Striped Catfish (Pseudoplatystoma magdaleniatum) in the Cauca and Magdalena Rivers

Unravelling Coriolis temperature-dependent effects on doped helium clusters: Vib-rotational Raman spectra of (3,4He)4–Cl2(X)

Physisorption of helium on a TiO2(110) surface: Periodic and finite cluster approaches

Fully versus constrained statistical fragmentation of carbon clusters and their heteronuclear derivatives

LOWDIN: The any particle molecular orbital code

Extracellular enzymatic activity of two hydrolases in wastewater treatment for biological nutrient removal

Charge and energy sharing in the fragmentation of astrophysically relevant carbon clusters

Cambios espacio-temporales del plancton en la cienaga de ayapel , durante la epoca de menor nivel del agua

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