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Equation of state and first principles prediction of the vibrational matrix shift of solid parahydrogen

The Journal of chemical physics, 2019-12, Vol.151 (24), p.244501-244501

2019

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First-principles prediction of the Raman shifts in parahydrogen clusters

The Journal of chemical physics, 2014-07, Vol.141 (1), p.014310-014310

2014

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Constructing high-accuracy intermolecular potential energy surface with multi-dimension Morse/Long-Range model

Molecular physics, 2018-04, Vol.116 (7-8), p.843-853

2018

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A new six-dimensional potential energy surface for H2-N2O and its adiabatic-hindered-rotor treatment

The Journal of chemical physics, 2013-07, Vol.139 (3), p.034312-034312

2013

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"Adiabatic-hindered-rotor" treatment of the parahydrogen-water complex

The Journal of chemical physics, 2011-09, Vol.135 (9), p.094304-094304-15

2011

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Analytic three-dimensional 'MLR' potential energy surface for CO(2)-He, and its predicted microwave and infrared spectra

Physical chemistry chemical physics : PCCP, 2008-07, Vol.10 (28), p.4128-4137

2008

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Long-range damping functions improve the short-range behaviour of 'MLR' potential energy functions

Molecular physics, 2011-02, Vol.109 (3), p.435-446

2011

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A new potential function form incorporating extended long-range behaviour: application to ground-state Ca 2

Molecular physics, 2007-03, Vol.105 (5-7), p.663-677

2007

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Accurate Analytic Potential and Born–Oppenheimer Breakdown Functions for MgH and MgD from a Direct-Potential-Fit Data Analysis

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-12, Vol.117 (50), p.13373-13387

2013

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Spectroscopic Properties of MgH2, MgD2, and MgHD Calculated from a New ab Initio Potential Energy Surface

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-07, Vol.111 (28), p.6248-6255

2007

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On the analytical representation of free energy profiles with a Morse/long-range model: application to the water dimer

The Journal of chemical physics, 2013-06, Vol.138 (23), p.234103-234103

2013

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Vibrational energies and full analytic potential energy functions of PbI and InI from pure microwave data

Journal of molecular spectroscopy, 2016-12, Vol.330, p.80-88

2016

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Ground State Potential Energy Curve and Dissociation Energy of MgH

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-12, Vol.111 (49), p.12495-12505

2007

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An accurate ab initio potential energy surface and calculated spectroscopic constants for BeH2, BeD2, and BeHD

The Journal of chemical physics, 2006-07, Vol.125 (4), p.44307-44307

2006

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Improved Parameterization for Combined Isotopomer Analysis of Diatomic Spectra and Its Application to HF and DF

Journal of molecular spectroscopy, 1999-04, Vol.194 (2), p.189-196

Le Roy, Robert J.

1999

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An accurate analytic potential function for ground-state N 2 from a direct-potential-fit analysis of spectroscopic data

The Journal of chemical physics, 2006-10, Vol.125 (16), p.164310-164310-12

2006

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A new empirical potential energy function for Ar 2

Molecular physics, 2018-06, Vol.116 (12), p.1598-1623

2018

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A new four-dimensional ab initio potential energy surface for N2O–He and vibrational band origin shifts for the N2O–He N clusters with N = 1–40

The Journal of chemical physics, 2012-09, Vol.137 (10)

2012

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FTIR Emission Spectra, Molecular Constants, and Potential Curve of Ground State GeO

Journal of molecular spectroscopy, 1999-04, Vol.194 (2), p.197-202

1999

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Probing Excited Electronic States Using Vibrationally Mediated Photolysis: Application to Hydrogen Iodide

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-09, Vol.108 (39), p.7806-7813

2004

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FTIR Emission Spectra and Molecular Constants for DCl

Journal of molecular spectroscopy, 1999-05, Vol.195 (1), p.185-191

1999

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Superfluid response of 4HeN–N2O clusters probed by path integral Monte Carlo simulations

Journal of molecular spectroscopy, 2011-05, Vol.267 (1-2), p.136-143

2011

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Predicted bound states and microwave spectrum of N 2 - He van der Waals complexes

The Journal of chemical physics, 2009-06, Vol.130 (24), p.244503-244503-7

2009

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A “modified Lennard-Jones oscillator” model for diatom potential functions

The Journal of chemical physics, 2000-03, Vol.112 (9), p.3949-3957

2000

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Nonadiabatic eigenvalues and adiabatic matrix elements for all isotopes of diatomic hydrogen

Journal of molecular spectroscopy, 1987-02, Vol.121 (2), p.420-439

1987

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Equation of state and first principles prediction of the vibrational matrix shift of solid parahydrogen

First-principles prediction of the Raman shifts in parahydrogen clusters

Constructing high-accuracy intermolecular potential energy surface with multi-dimension Morse/Long-Range model

A new six-dimensional potential energy surface for H2-N2O and its adiabatic-hindered-rotor treatment

"Adiabatic-hindered-rotor" treatment of the parahydrogen-water complex

Analytic three-dimensional 'MLR' potential energy surface for CO(2)-He, and its predicted microwave and infrared spectra

Long-range damping functions improve the short-range behaviour of 'MLR' potential energy functions

A new potential function form incorporating extended long-range behaviour: application to ground-state Ca 2

Accurate Analytic Potential and Born–Oppenheimer Breakdown Functions for MgH and MgD from a Direct-Potential-Fit Data Analysis

Spectroscopic Properties of MgH2, MgD2, and MgHD Calculated from a New ab Initio Potential Energy Surface

On the analytical representation of free energy profiles with a Morse/long-range model: application to the water dimer

Vibrational energies and full analytic potential energy functions of PbI and InI from pure microwave data

Ground State Potential Energy Curve and Dissociation Energy of MgH

An accurate ab initio potential energy surface and calculated spectroscopic constants for BeH2, BeD2, and BeHD

Improved Parameterization for Combined Isotopomer Analysis of Diatomic Spectra and Its Application to HF and DF

An accurate analytic potential function for ground-state N 2 from a direct-potential-fit analysis of spectroscopic data

A new empirical potential energy function for Ar 2

A new four-dimensional ab initio potential energy surface for N2O–He and vibrational band origin shifts for the N2O–He N clusters with N = 1–40

FTIR Emission Spectra, Molecular Constants, and Potential Curve of Ground State GeO

Probing Excited Electronic States Using Vibrationally Mediated Photolysis: Application to Hydrogen Iodide

FTIR Emission Spectra and Molecular Constants for DCl

Superfluid response of 4HeN–N2O clusters probed by path integral Monte Carlo simulations

Predicted bound states and microwave spectrum of N 2 - He van der Waals complexes

A “modified Lennard-Jones oscillator” model for diatom potential functions

Nonadiabatic eigenvalues and adiabatic matrix elements for all isotopes of diatomic hydrogen

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