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Journal Articles

Conformational fluxionality of long-chain alkene clusters in the gas phase evidenced from a combined experimental and theoretical approach

C. Smith Lewin, O. Herbinet, P. Arnoux, F. Battin-Leclerc, G. A. Garcia, L. Nahon, L. S. Tran, G. Vanhove, M. Mogren Al Mogren, M. Hochlaf, F. Calvo, J. Bourgalais

J. Chem. Phys. 162, 074302 (2025)

https://doi.org/10.1063/5.0252957

Published: February 2025

View article titled, Conformational fluxionality of long-chain alkene clusters in the gas phase evidenced from a combined experimental and theoretical approach

Journal Articles

Explicitly correlated potential energy surface of the CH₃Cl–He van der Waals complex and applications

A. Ben Krid, Y. Ajili, D. Ben Abdallah, M. Dhib, H. Aroui, M. Hochlaf

J. Chem. Phys. 154, 094304 (2021)

https://doi.org/10.1063/5.0038677

Published: March 2021

View article titled, Explicitly correlated potential energy surface of the CH3Cl–He van der Waals complex and applications

Includes: Supplementary data

Journal Articles

In silico design of a new Zn–triazole based metal–organic framework for CO₂ and H₂O adsorption

R. Dahmani, S. Grubišić, I. Djordjević, S. Ben Yaghlane, S. Boughdiri, G. Chambaud, M. Hochlaf

J. Chem. Phys. 154, 024303 (2021)

https://doi.org/10.1063/5.0037594

Published: January 2021

View article titled, In silico design of a new Zn–triazole based metal–organic framework for CO2 and H2O adsorption

Includes: Supplementary data

Journal Articles

Spectroscopy and characterization of AlNX (X = O and S): Triatomic circumstellar molecules

T. Trabelsi, K. Mahjoubi, B. Mehnen, M. Hochlaf, J. S. Francisco

J. Chem. Phys. 150, 124306 (2019)

https://doi.org/10.1063/1.5088589

Published: March 2019

View article titled, Spectroscopy and characterization of AlNX (X = O and S): Triatomic circumstellar molecules

Includes: Supplementary data

Journal Articles

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

B. Mehnen, R. Linguerri, S. Ben Yaghlane, M. Mogren Al Mogren, A. Elmarghany, M. Hochlaf

J. Chem. Phys. 149, 164303 (2018)

https://doi.org/10.1063/1.5048463

Published: October 2018

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

Includes: Supplementary data

Journal Articles

Rotational (de-)excitation of isocyanogen by collision with helium at low energies

D. Ben Abdallah, M. Mogren Al Mogren, S. Dhaif Allah Al Harbi, M. Hochlaf

J. Chem. Phys. 149, 064305 (2018)

https://doi.org/10.1063/1.5043481

Published: August 2018

View article titled, Rotational (de-)excitation of isocyanogen by collision with helium at low energies

Includes: Supplementary data

Journal Articles

Cold collisions of SH⁻ with He: Potential energy surface and rate coefficients

C. T. Bop, T. Trabelsi, K. Hammami, M. Mogren Al Mogren, F. Lique, M. Hochlaf

J. Chem. Phys. 147, 124301 (2017)

https://doi.org/10.1063/1.4994970

Published: September 2017

View article titled, Cold collisions of SH− with He: Potential energy surface and rate coefficients

Includes: Supplementary data

Journal Articles

Stereoisomers of hydroxymethanes: Probing structural and spectroscopic features upon substitution

I. Toumi, O. Yazidi, N.-E. Jaidane, M. Mogren Al Mogren, J. S. Francisco, M. Hochlaf

J. Chem. Phys. 145, 244305 (2016)

https://doi.org/10.1063/1.4972415

Published: December 2016

View article titled, Stereoisomers of hydroxymethanes: Probing structural and spectroscopic features upon substitution

Includes: Supplementary data

Journal Articles

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

A. Bellili, R. Linguerri, M. Hochlaf, C. Puzzarini

J. Chem. Phys. 143, 184314 (2015)

https://doi.org/10.1063/1.4935493

Published: November 2015

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

Journal Articles

Electronic structure of NSO⁻ and SNO⁻ anions: Stability, electron affinity, and spectroscopic properties

T. Trabelsi, O. Yazidi, J. S. Francisco, R. Linguerri, M. Hochlaf

J. Chem. Phys. 143, 164301 (2015)

https://doi.org/10.1063/1.4933115

Published: October 2015

View article titled, Electronic structure of NSO− and SNO− anions: Stability, electron affinity, and spectroscopic properties

Includes: Supplementary data

Journal Articles

Characterization and reactivity of the weakly bound complexes of the [H, N, S]⁻ anionic system with astrophysical and biological implications

T. Trabelsi, Y. Ajili, S. Ben Yaghlane, N.-E. Jaidane, M. Mogren Al-Mogren, J. S. Francisco, M. Hochlaf

J. Chem. Phys. 143, 034303 (2015)

https://doi.org/10.1063/1.4926941

Published: July 2015

View article titled, Characterization and reactivity of the weakly bound complexes of the [H, N, S]− anionic system with astrophysical and biological implications

Includes: Supplementary data

Journal Articles

Microsolvation of NO⁺ in Ar_n clusters: A theoretical treatment

F. E. Ben Mohamed, M. Slama, H. Hammami, M. Ben El Hadj Rhouma, M. Hochlaf

J. Chem. Phys. 142, 204309 (2015)

https://doi.org/10.1063/1.4921254

Published: May 2015

View article titled, Microsolvation of NO+ in Arn clusters: A theoretical treatment

Journal Articles

Theoretical spectroscopic characterization of the ArBeO complex

Y. Tebai, N.-E. Jaidane, D. Ben Abdallah, Ph. Halvick, T. Stoecklin, M. Hochlaf

J. Chem. Phys. 141, 174305 (2014)

https://doi.org/10.1063/1.4900770

Published: November 2014

View article titled, Theoretical spectroscopic characterization of the ArBeO complex

Journal Articles

VUV photoionization and dissociative photoionization of the prebiotic molecule acetyl cyanide: Theory and experiment

A. Bellili, M. Schwell, Y. Bénilan, N. Fray, M.-C. Gazeau, M. Mogren Al-Mogren, J.-C. Guillemin, L. Poisson, M. Hochlaf

J. Chem. Phys. 141, 134311 (2014)

https://doi.org/10.1063/1.4896987

Published: October 2014

View article titled, VUV photoionization and dissociative photoionization of the prebiotic molecule acetyl cyanide: Theory and experiment

Journal Articles

Theoretical spectroscopic characterization at low temperatures of S-methyl thioformate and O-methyl thioformate

M. L. Senent, C. Puzzarini, M. Hochlaf, R. Domínguez-Gómez, M. Carvajal

J. Chem. Phys. 141, 104303 (2014)

https://doi.org/10.1063/1.4894487

Published: September 2014

View article titled, Theoretical spectroscopic characterization at low temperatures of S-methyl thioformate and O-methyl thioformate

Journal Articles

On the use of explicitly correlated treatment methods for the generation of accurate polyatomic –He/H₂ interaction potential energy surfaces: The case of C₃–He complex and generalization

M. M. Al Mogren, O. Denis-Alpizar, D. Ben Abdallah, T. Stoecklin, P. Halvick, M.-L. Senent, M. Hochlaf

J. Chem. Phys. 141, 044308 (2014)

https://doi.org/10.1063/1.4890729

Published: July 2014

View article titled, On the use of explicitly correlated treatment methods for the generation of accurate polyatomic –He/H2 interaction potential energy surfaces: The case of C3–He complex and generalization

Journal Articles

Theoretical investigations of the IO,^q+ (q = 2, 3, 4) multi-charged ions: Metastability, characterization and spectroscopy

H. Hammami, O. Yazidi, M. Ben El Hadj Rhouma, M. M. Al Mogren, M. Hochlaf

J. Chem. Phys. 141, 014302 (2014)

https://doi.org/10.1063/1.4884960

Published: July 2014

View article titled, Theoretical investigations of the IO,q+ (q = 2, 3, 4) multi-charged ions: Metastability, characterization and spectroscopy

Includes: Supplementary data

Journal Articles

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

S. Ben Yaghlane, N.-E. Jaidane, C. E. Cotton, J. S. Francisco, M. M. Al Mogren, R. Linguerri, M. Hochlaf

J. Chem. Phys. 140, 244309 (2014)

https://doi.org/10.1063/1.4883915

Published: June 2014

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

Includes: Supplementary data

Journal Articles

Accurate global potential energy surface for the H + OH⁺ collision

M. A. Gannouni, N. E. Jaidane, P. Halvick, T. Stoecklin, M. Hochlaf

J. Chem. Phys. 140, 184306 (2014)

https://doi.org/10.1063/1.4872329

Published: May 2014

View article titled, Accurate global potential energy surface for the H + OH+ collision

Includes: Supplementary data

Journal Articles

Theoretical spectroscopic characterization at low temperatures of detectable sulfur-organic compounds: Ethyl mercaptan and dimethyl sulfide

M. L. Senent, C. Puzzarini, R. Domínguez-Gómez, M. Carvajal, M. Hochlaf

J. Chem. Phys. 140, 124302 (2014)

https://doi.org/10.1063/1.4868640

Published: March 2014

View article titled, Theoretical spectroscopic characterization at low temperatures of detectable sulfur-organic compounds: Ethyl mercaptan and dimethyl sulfide

NARROW

Topics

Conformational fluxionality of long-chain alkene clusters in the gas phase evidenced from a combined experimental and theoretical approach

Explicitly correlated potential energy surface of the CH₃Cl–He van der Waals complex and applications

In silico design of a new Zn–triazole based metal–organic framework for CO₂ and H₂O adsorption

Spectroscopy and characterization of AlNX (X = O and S): Triatomic circumstellar molecules

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

Rotational (de-)excitation of isocyanogen by collision with helium at low energies

Cold collisions of SH⁻ with He: Potential energy surface and rate coefficients

Stereoisomers of hydroxymethanes: Probing structural and spectroscopic features upon substitution

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

Electronic structure of NSO⁻ and SNO⁻ anions: Stability, electron affinity, and spectroscopic properties

Characterization and reactivity of the weakly bound complexes of the [H, N, S]⁻ anionic system with astrophysical and biological implications

Microsolvation of NO⁺ in Ar_n clusters: A theoretical treatment

Theoretical spectroscopic characterization of the ArBeO complex

VUV photoionization and dissociative photoionization of the prebiotic molecule acetyl cyanide: Theory and experiment

Theoretical spectroscopic characterization at low temperatures of S-methyl thioformate and O-methyl thioformate

On the use of explicitly correlated treatment methods for the generation of accurate polyatomic –He/H₂ interaction potential energy surfaces: The case of C₃–He complex and generalization

Theoretical investigations of the IO,^q+ (q = 2, 3, 4) multi-charged ions: Metastability, characterization and spectroscopy

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

Accurate global potential energy surface for the H + OH⁺ collision

Theoretical spectroscopic characterization at low temperatures of detectable sulfur-organic compounds: Ethyl mercaptan and dimethyl sulfide

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