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Carbazole derivatives containing chalcone analogues targeting topoisomerase II inhibition: First principles characterization and QSAR modelling

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2020-12, Vol.242, p.118724, Article 118724

2020

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Copper–Chalcogen Bonds in Olfaction: Accurate ab Initio Characterization of CuSH and CuOH

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-02, Vol.123 (6), p.1177-1185

2019

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Accurate structural and spectroscopic characterization of prebiotic molecules: The neutral and cationic acetyl cyanide and their related species

The Journal of chemical physics, 2015-11, Vol.143 (18), p.184314-184314

2015

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Theoretical spectroscopic investigations of HNSq and HSNq (q = 0, +1, −1) in the gas phase

The Journal of chemical physics, 2014-06, Vol.140 (24)

2014

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Mapping the Dissociative Ionization Dynamics of Molecular Nitrogen with Attosecond Time Resolution

Physical review. X, 2015-12, Vol.5 (4), p.041053, Article 041053

2015

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Gold with +4 oxidation state compounds: mass spectrometric and theoretical characterization of AuO2

Physical chemistry chemical physics : PCCP, 2019-08, Vol.21 (29), p.16120-16126

2019

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Gold with +4 oxidation state compounds: mass spectrometric and theoretical characterization of AuO

Physical chemistry chemical physics : PCCP, 2019-07, Vol.21 (29), p.1612-16126

2019

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Spectroscopy of the electronic excited states of thioxophosphane, HPS, and of its deuterated species

The Journal of chemical physics, 2018-10, Vol.149 (16), p.164303-164303

2018

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Gold with +4 oxidation state compounds: mass spectrometric and theoretical characterization of AuO 2

Physical chemistry chemical physics : PCCP, 2019-07, Vol.21 (29), p.16120-16126

2019

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Electronic structure of NSO(-) and SNO(-) anions: Stability, electron affinity, and spectroscopic properties

The Journal of chemical physics, 2015-10, Vol.143 (16), p.164301-164301

2015

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Characterization of the MgO2+ dication in the gas phase: electronic states, spectroscopy and atmospheric implications

Physical chemistry chemical physics : PCCP, 2013-01, Vol.15 (3), p.824-831

2013

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Exploration of large amplitude motions in the Ca+Ar2 complex

Molecular physics, 2019-07, Vol.117 (13), p.1673-1681

2019

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Structure, Reactivity, and Fragmentation of Small Multi-Charged Methane Clusters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-03, Vol.120 (10), p.1669-1676

2016

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Full-Dimensional Theory of Pair-Correlated HNCO Photofragmentation

The journal of physical chemistry letters, 2017-06, Vol.8 (11), p.2420-2424

2017

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State-to-state dissociative photoionization of molecular nitrogen: the full story

Advances in physics: X, 2020-01, Vol.5 (1), p.1831955

2020

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Disentangling the complex spectrum of the ethynyl cation

Faraday discussions, 2018-12, Vol.212, p.51-64

2018

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Theoretical spectroscopic investigations of HNS(q) and HSN(q) (q = 0, +1, -1) in the gas phase

The Journal of chemical physics, 2014-06, Vol.140 (24), p.244309-244309

2014

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High-Resolution Photoelectron Spectroscopy with Angular Selectivity - A Tool To Probe Valence-Rydberg States and Couplings in HCl

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-07, Vol.118 (27), p.4975-4981

2014

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Accurate theoretical spectroscopy of the lowest electronic states of CP radical

Molecular physics, 2014-10, Vol.112 (20), p.2633-2645

2014

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Mapping the dissociative ionization dynamics of molecular nitrogen with attosecond resolution

Journal of physics. Conference series, 2015-09, Vol.635 (11), p.112101

2015

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S2O2q+ (q = 0, 1, and 2) Molecular Systems: Characterization and Atmospheric Planetary Implications

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-03, Vol.125 (9), p.1958-1971

2021

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Simplest N‑Sulfonylamine HNSO2

Journal of the American Chemical Society, 2016-09, Vol.138 (36), p.11509-11512

2016

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Structure and spectroscopic properties of low-lying states of the HOC(O)O radical

The Journal of chemical physics, 2016-02, Vol.144 (8), p.084306-084306

2016

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SPECTROSCOPIC CONSTANTS OF THE X-1 Sigma(+) AND 1(3)Pi STATES OF AlO

The Astrophysical journal, 2016-08, Vol.826

2016

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Benchmark study of the structural and spectroscopic parameters of the hydroxymethyl peroxy (HOCH2OO) radical and its decomposition reaction to HO2 and H2CO

The Journal of chemical physics, 2017-04, Vol.146 (14), p.144303-144303

2017

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Carbazole derivatives containing chalcone analogues targeting topoisomerase II inhibition: First principles characterization and QSAR modelling

Copper–Chalcogen Bonds in Olfaction: Accurate ab Initio Characterization of CuSH and CuOH

Accurate structural and spectroscopic characterization of prebiotic molecules: The neutral and cationic acetyl cyanide and their related species

Theoretical spectroscopic investigations of HNSq and HSNq (q = 0, +1, −1) in the gas phase

Mapping the Dissociative Ionization Dynamics of Molecular Nitrogen with Attosecond Time Resolution

Gold with +4 oxidation state compounds: mass spectrometric and theoretical characterization of AuO2

Gold with +4 oxidation state compounds: mass spectrometric and theoretical characterization of AuO

Spectroscopy of the electronic excited states of thioxophosphane, HPS, and of its deuterated species

Gold with +4 oxidation state compounds: mass spectrometric and theoretical characterization of AuO 2

Electronic structure of NSO(-) and SNO(-) anions: Stability, electron affinity, and spectroscopic properties

Characterization of the MgO2+ dication in the gas phase: electronic states, spectroscopy and atmospheric implications

Exploration of large amplitude motions in the Ca+Ar2 complex

Structure, Reactivity, and Fragmentation of Small Multi-Charged Methane Clusters

Full-Dimensional Theory of Pair-Correlated HNCO Photofragmentation

State-to-state dissociative photoionization of molecular nitrogen: the full story

Disentangling the complex spectrum of the ethynyl cation

Theoretical spectroscopic investigations of HNS(q) and HSN(q) (q = 0, +1, -1) in the gas phase

High-Resolution Photoelectron Spectroscopy with Angular Selectivity - A Tool To Probe Valence-Rydberg States and Couplings in HCl

Accurate theoretical spectroscopy of the lowest electronic states of CP radical

Mapping the dissociative ionization dynamics of molecular nitrogen with attosecond resolution

S2O2q+ (q = 0, 1, and 2) Molecular Systems: Characterization and Atmospheric Planetary Implications

Simplest N‑Sulfonylamine HNSO2

Structure and spectroscopic properties of low-lying states of the HOC(O)O radical

SPECTROSCOPIC CONSTANTS OF THE X-1 Sigma(+) AND 1(3)Pi STATES OF AlO

Benchmark study of the structural and spectroscopic parameters of the hydroxymethyl peroxy (HOCH2OO) radical and its decomposition reaction to HO2 and H2CO

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