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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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An accurate analytic potential function for ground-state N2 from a direct-potential-fit analysis of spectroscopic data

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

2006

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Analytic Morse/long-range potential energy surfaces and predicted infrared spectra for CO2-H2

The Journal of chemical physics, 2010-06, Vol.132 (21), p.214309-214309

2010

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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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Analytic Morse/long-range potential energy surfaces and predicted infrared spectra for CO-H2 dimer and frequency shifts of CO in (para-H2)N N = 1-20 clusters

The Journal of chemical physics, 2013-10, Vol.139 (16), p.164315-164315

2013

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Full empirical potential curves for the X(1)Σ(+) and A(1)Π states of CH(+) from a direct-potential-fit analysis

The Journal of chemical physics, 2016-01, Vol.144 (2), p.024311-024311

2016

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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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Accurate analytic potentials for Li2(X Σ1g+) and Li2(A Σ1u+) from 2 to 90 Å, and the radiative lifetime of Li(2p)

The Journal of chemical physics, 2009-11, Vol.131 (20)

2009

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Dissociation energies and potential energy functions for the ground X (1)Σ(+) and "avoided-crossing" A (1)Σ(+) states of NaH

The Journal of chemical physics, 2015-01, Vol.142 (4), p.044305-044305

2015

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Pathways and reduced-dimension five-dimensional potential energy surface for the reactions H3+ + CO-->H2+HCO+ and H3+ + CO-->H2+HOC

The Journal of chemical physics, 2008-12, Vol.129 (24), p.244306-244306

2008

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Quadrupole moment function and absolute infrared quadrupolar intensities for N2

The Journal of chemical physics, 2007-06, Vol.126 (22), p.224301-224301

2007

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Dissociation energies and potential energy functions for the ground X 1Σ+ and “avoided-crossing” A 1Σ+ states of NaH

The Journal of chemical physics, 2015-01, Vol.142 (4)

2015

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Rapid, accurate calculation of the s -wave scattering length

The Journal of chemical physics, 2011-10, Vol.135 (15), p.154108-154108-11

2011

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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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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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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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Predicted bound states and microwave spectrum of N2-He van der Waals complexes

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

2009

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Full empirical potential curves for the X1Σ+ and A1Π states of CH+ from a direct-potential-fit analysis

The Journal of chemical physics, 2016-01, Vol.144 (2)

2016

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Full empirical potential curves for the X 1Σ+ and A 1Π states of CH+ from a direct-potential-fit analysis

The Journal of chemical physics, 2016-01, Vol.144 (2)

2016

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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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Pathways and reduced-dimension five-dimensional potential energy surface for the reactions H 3 + + CO → H 2 + HCO + and H 3 + + CO → H 2 + HOC

The Journal of chemical physics, 2008-12, Vol.129 (24), p.244306-244306-8

2008

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An “adiabatic-hindered-rotor” treatment allows para -H2 to be treated as if it were spherical

The Journal of chemical physics, 2010-09, Vol.133 (10)

2010

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An "adiabatic-hindered-rotor" treatment allows para - H 2 to be treatedas if it were spherical

The Journal of chemical physics, 2010-09, Vol.133 (10), p.104305-104305-9

2010

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Analytic Morse/long-range potential energy surfaces and predicted infrared spectra for CO 2 - H 2

The Journal of chemical physics, 2010-06, Vol.132 (21), p.214309-214309-14

2010

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

An accurate analytic potential function for ground-state N2 from a direct-potential-fit analysis of spectroscopic data

Analytic Morse/long-range potential energy surfaces and predicted infrared spectra for CO2-H2

First-principles prediction of the Raman shifts in parahydrogen clusters

Analytic Morse/long-range potential energy surfaces and predicted infrared spectra for CO-H2 dimer and frequency shifts of CO in (para-H2)N N = 1-20 clusters

Full empirical potential curves for the X(1)Σ(+) and A(1)Π states of CH(+) from a direct-potential-fit analysis

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

Accurate analytic potentials for Li2(X Σ1g+) and Li2(A Σ1u+) from 2 to 90 Å, and the radiative lifetime of Li(2p)

Dissociation energies and potential energy functions for the ground X (1)Σ(+) and "avoided-crossing" A (1)Σ(+) states of NaH

Pathways and reduced-dimension five-dimensional potential energy surface for the reactions H3+ + CO-->H2+HCO+ and H3+ + CO-->H2+HOC

Quadrupole moment function and absolute infrared quadrupolar intensities for N2

Dissociation energies and potential energy functions for the ground X 1Σ+ and “avoided-crossing” A 1Σ+ states of NaH

Rapid, accurate calculation of the s -wave scattering length

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

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

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

Predicted bound states and microwave spectrum of N2-He van der Waals complexes

Full empirical potential curves for the X1Σ+ and A1Π states of CH+ from a direct-potential-fit analysis

Full empirical potential curves for the X 1Σ+ and A 1Π states of CH+ from a direct-potential-fit analysis

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

Pathways and reduced-dimension five-dimensional potential energy surface for the reactions H 3 + + CO → H 2 + HCO + and H 3 + + CO → H 2 + HOC

An “adiabatic-hindered-rotor” treatment allows para -H2 to be treated as if it were spherical

An "adiabatic-hindered-rotor" treatment allows para - H 2 to be treatedas if it were spherical

Analytic Morse/long-range potential energy surfaces and predicted infrared spectra for CO 2 - H 2

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