[1]
|
ExoMol line lists – L: high-resolution line lists of H3+, H2D+, D2H+, and D3+
Monthly Notices of the Royal Astronomical Society,
2023
DOI:10.1093/mnras/stad050
|
|
|
[2]
|
Quantum Dynamical Investigation of Dihydrogen–Hydride Exchange in a Transition-Metal Polyhydride Complex
The Journal of Physical Chemistry A,
2023
DOI:10.1021/acs.jpca.3c01863
|
|
|
[3]
|
Assigning quantum labels and improving accuracy for the ro-vibrational eigenstates of H3+ calculated using ScalIT
Frontiers in Physics,
2022
DOI:10.3389/fphy.2022.996001
|
|
|
[4]
|
Hitting the Trifecta: How to Simultaneously Push the Limits of Schrödinger Solution with Respect to System Size, Convergence Accuracy, and Number of Computed States
Journal of Chemical Theory and Computation,
2021
DOI:10.1021/acs.jctc.1c00824
|
|
|
[5]
|
Hitting the Trifecta: How to Simultaneously Push the Limits of Schrödinger Solution with Respect to System Size, Convergence Accuracy, and Number of Computed States
Journal of Chemical Theory and Computation,
2021
DOI:10.1021/acs.jctc.1c00824
|
|
|
[6]
|
Molecular Spectroscopy and Quantum Dynamics
2021
DOI:10.1016/B978-0-12-817234-6.00007-6
|
|
|
[7]
|
On neglecting Coriolis and related couplings in first-principles rovibrational spectroscopy: Considerations of symmetry, accuracy, and simplicity. II. Case studies for H2O isotopologues, H3+, O3, and NH3
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,
2021
DOI:10.1016/j.saa.2020.119164
|
|
|
[8]
|
Calculation of rovibrational eigenstates of H3+ using ScalIT
AIP Advances,
2021
DOI:10.1063/5.0047823
|
|
|
[9]
|
Calculation of rovibrational eigenstates of H3+ using ScalIT
AIP Advances,
2021
DOI:10.1063/5.0047823
|
|
|
[10]
|
Efficient Quantum Mechanical Calculations of Mode-Specific Tunneling Splittings upon Fundamental Excitation in the Dimer of Formic Acid
The Journal of Physical Chemistry A,
2020
DOI:10.1021/acs.jpca.0c05471
|
|
|
[11]
|
Efficient Quantum Mechanical Calculations of Mode-Specific Tunneling Splittings upon Fundamental Excitation in the Dimer of Formic Acid
The Journal of Physical Chemistry A,
2020
DOI:10.1021/acs.jpca.0c05471
|
|
|
[12]
|
On neglecting Coriolis and related couplings in first-principles rovibrational spectroscopy: considerations of symmetry, accuracy, and simplicity
Scientific Reports,
2020
DOI:10.1038/s41598-020-60971-x
|
|
|
[13]
|
On neglecting Coriolis and related couplings in first-principles rovibrational spectroscopy: considerations of symmetry, accuracy, and simplicity
Scientific Reports,
2020
DOI:10.1038/s41598-020-60971-x
|
|
|
[14]
|
Exact bound rovibrational spectra of the neon tetramer
The Journal of Chemical Physics,
2019
DOI:10.1063/1.5125145
|
|
|
[15]
|
Double Proton Transfer in the Dimer of Formic Acid: An Efficient Quantum Mechanical Scheme
Frontiers in Chemistry,
2019
DOI:10.3389/fchem.2019.00676
|
|
|
[16]
|
Exact bound rovibrational spectra of the neon tetramer
The Journal of Chemical Physics,
2019
DOI:10.1063/1.5125145
|
|
|
[17]
|
Accurate rovibrational energies of ozone isotopologues up to J = 10 utilizing artificial neural networks
The Journal of Chemical Physics,
2018
DOI:10.1063/1.5036602
|
|
|
[18]
|
Theoretical methods for the rotation–vibration spectra of triatomic molecules: distributed Gaussian functions compared with hyperspherical coordinates
International Reviews in Physical Chemistry,
2018
DOI:10.1080/0144235X.2018.1514187
|
|
|
[19]
|
Accurate rovibrational energies of ozone isotopologues up to J = 10 utilizing artificial neural networks
The Journal of Chemical Physics,
2018
DOI:10.1063/1.5036602
|
|
|