Lista de obras -

A theoretical study on the infrared signatures of proton-bound rare gas dimers (Rg-H+-Rg), Rg = {Ne, Ar, Kr, and Xe}

artículo científico publicado en 2019

Anharmonic coupling behind vibrational spectra of solvated ammonium: lighting up overtone states by Fermi resonance through tuning solvation environments

artículo científico publicado en 2020

Assessment of density functional theory to calculate the phase transition pressure of ice ⬇️

artículo científico publicado el 17 de julio de 2012

Effects of mixing between short-chain and branched-chain alcohols in protonated clusters

artículo científico publicado en 2020

First principles molecular dynamics study of filled ice hydrogen hydrate ⬇️

artículo científico publicado el 28 de agosto de 2012

Hydrogen bond network structures of protonated short-chain alcohol clusters

scientific article published on 01 June 2018

IR-VUV spectroscopy of pyridine dimers, trimers and pyridine-ammonia complexes in a supersonic jet

scientific article published on 21 September 2020

Improved agreement between experimental and computational results for collision-induced dissociation mass spectrometry of cation-tagged hexoses

artículo científico publicado en 2020

Mechano-chemical stability and water effect on gas selectivity in mixed-metal zeolitic imidazolate frameworks: a systematic investigation from van der Waals corrected density functional theory

artículo científico publicado en 2020

Multilevel Approach for Direct VSCF/VCI MULTIMODE Calculations with Applications to Large "Zundel" Cations

artículo científico publicado en 2018

Phonon and elastic instabilities in rocksalt calcium oxide under pressure: a first-principles study ⬇️

artículo científico publicado el 2 de diciembre de 2008

Pressure-Engineered Structural and Optical Properties of Two-Dimensional (C4H9NH3)2PbI4 Perovskite Exfoliated nm-Thin Flakes

artículo científico publicado en 2018

Strong Fermi resonance associated with proton motions revealed by vibrational spectra of asymmetric proton bound dimers

artículo científico publicado en 2020

Structures and Dissociation Channels of Protonated Mixed Clusters around a Small Magic Number: Infrared Spectroscopy of ((CH3)3N)n–H+–H2O (n = 1–3) ⬇️

artículo científico publicado el 8 de junio de 2012

Toward Closing the Gap between Hexoses and N-Acetlyhexosamines: Experimental and Computational Studies on the Collision-Induced Dissociation of Hexosamines

scientific article published on 26 July 2019

Unexpected Dissociation Mechanism of Sodiated N-Acetylglucosamine and N-Acetylgalactosamine

scientific article published on 16 April 2019

Vibrational Coupling in Solvated H3O+: Interplay between Fermi Resonance and Combination Band

artículo científico publicado en 2020

Vibrational spectroscopic signatures of hydrogen bond induced NH stretch-bend Fermi-resonance in amines: The methylamine clusters and other N-H⋯N hydrogen-bonded complexes

artículo científico publicado en 2020

Vibrational spectroscopy of protonated amine-water clusters: tuning Fermi resonance and lighting up dark states

scientific article published on 28 September 2020

Lista de obras de

A theoretical study on the infrared signatures of proton-bound rare gas dimers (Rg-H+-Rg), Rg = {Ne, Ar, Kr, and Xe}

Anharmonic coupling behind vibrational spectra of solvated ammonium: lighting up overtone states by Fermi resonance through tuning solvation environments

Assessment of density functional theory to calculate the phase transition pressure of ice ⬇️

Effects of mixing between short-chain and branched-chain alcohols in protonated clusters

First principles molecular dynamics study of filled ice hydrogen hydrate ⬇️

Hydrogen bond network structures of protonated short-chain alcohol clusters

IR-VUV spectroscopy of pyridine dimers, trimers and pyridine-ammonia complexes in a supersonic jet

Improved agreement between experimental and computational results for collision-induced dissociation mass spectrometry of cation-tagged hexoses

Mechano-chemical stability and water effect on gas selectivity in mixed-metal zeolitic imidazolate frameworks: a systematic investigation from van der Waals corrected density functional theory

Multilevel Approach for Direct VSCF/VCI MULTIMODE Calculations with Applications to Large "Zundel" Cations

Phonon and elastic instabilities in rocksalt calcium oxide under pressure: a first-principles study ⬇️

Pressure-Engineered Structural and Optical Properties of Two-Dimensional (C4H9NH3)2PbI4 Perovskite Exfoliated nm-Thin Flakes

Strong Fermi resonance associated with proton motions revealed by vibrational spectra of asymmetric proton bound dimers

Structures and Dissociation Channels of Protonated Mixed Clusters around a Small Magic Number: Infrared Spectroscopy of ((CH3)3N)n–H+–H2O (n = 1–3) ⬇️

Toward Closing the Gap between Hexoses and N-Acetlyhexosamines: Experimental and Computational Studies on the Collision-Induced Dissociation of Hexosamines

Unexpected Dissociation Mechanism of Sodiated N-Acetylglucosamine and N-Acetylgalactosamine

Vibrational Coupling in Solvated H3O+: Interplay between Fermi Resonance and Combination Band

Vibrational spectroscopic signatures of hydrogen bond induced NH stretch-bend Fermi-resonance in amines: The methylamine clusters and other N-H⋯N hydrogen-bonded complexes

Vibrational spectroscopy of protonated amine-water clusters: tuning Fermi resonance and lighting up dark states