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Introduction to Active Thermochemical Tables: Several “Key” Enthalpies of Formation Revisited

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-11, Vol.108 (45), p.9979-9997

2004

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Interpolating moving least-squares methods for fitting potential energy surfaces: a strategy for efficient automatic data point placement in high dimensions

The Journal of chemical physics, 2008-02, Vol.128 (8), p.084107-084107

2008

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Shift-and-invert parallel spectral transformation eigensolver: Massively parallel performance for density-functional based tight-binding

Journal of computational chemistry, 2016-02, Vol.37 (4), p.448-459

2016

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Pressure effects on the relaxation of an excited nitromethane molecule in an argon bath

The Journal of chemical physics, 2015-01, Vol.142 (1), p.014303-014303

2015

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Active Thermochemical Tables: thermochemistry for the 21st century

Journal of physics. Conference series, 2005-01, Vol.16 (1), p.561-570

2005

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Improved Multidimensional Semiclassical Tunneling Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-12, Vol.117 (49), p.13089-13100

Wagner, Albert F

2013

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On the Enthalpy of Formation of Hydroxyl Radical and Gas-Phase Bond Dissociation Energies of Water and Hydroxyl

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2002-03, Vol.106 (11), p.2727-2747

2002

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Pressure effects on the vibrational and rotational relaxation of vibrationally excited OH (ν, J) in an argon bath

The Journal of chemical physics, 2019-03, Vol.150 (11), p.114303-114303

2019

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Autobiography of Albert F. Wagner

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-07, Vol.119 (28), p.7089-7090

Wagner, Albert F

2015

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Normal mode analysis on the relaxation of an excited nitromethane molecule in argon bath

The Journal of chemical physics, 2019-07, Vol.151 (3), p.034303-034303

2019

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Evidence for a Lower Enthalpy of Formation of Hydroxyl Radical and a Lower Gas-Phase Bond Dissociation Energy of Water

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2001-01, Vol.105 (1), p.1-4

2001

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Interpolating moving least-squares methods for fitting potential energy surfaces: applications to classical dynamics calculations

The Journal of chemical physics, 2004-09, Vol.121 (11), p.5091-5097

2004

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Pressure Effects on the Relaxation of an Excited Ethane Molecule in High-Pressure Bath Gases

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-10, Vol.125 (39), p.8680-8690

2021

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Mode‐specific pressure effects on the relaxation of an excited nitromethane molecule in an argon bath

International journal of chemical kinetics, 2020-12, Vol.52 (12), p.979-989

2020

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Benchmark Calculations of Energetic Properties of Groups 4 and 6 Transition Metal Oxide Nanoclusters Including Comparison to Density Functional Theory

Journal of chemical theory and computation, 2016-08, Vol.12 (8), p.3689-3710

2016

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Theoretical/experimental comparison of deep tunneling decay of quasi-bound H(D)OCO to H(D) + CO2

The Journal of chemical physics, 2014-08, Vol.141 (5)

2014

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Anharmonic Rovibrational Partition Functions for Fluxional Species at High Temperatures via Monte Carlo Phase Space Integrals

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-02, Vol.122 (6), p.1727-1740

2018

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Interpolating moving least-squares methods for fitting potential energy surfaces: Analysis of an application to a six-dimensional system

The Journal of chemical physics, 2004-12, Vol.121 (21), p.10329-10338

2004

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SIESTA‐SIPs: Massively parallel spectrum‐slicing eigensolver for an ab initio molecular dynamics package

Journal of computational chemistry, 2018-08, Vol.39 (22), p.1806-1814

2018

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Ab Initio Wavenumber Accurate Spectroscopy: 1CH2 and HCN Vibrational Levels on Automatically Generated IMLS Potential Energy Surfaces

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-04, Vol.113 (16), p.4709-4721

2009

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Interpolating moving least-squares methods for fitting potential-energy surfaces: Further improvement of efficiency via cutoff strategies

The Journal of chemical physics, 2006-02, Vol.124 (5), p.054105-054105-13

2006

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Interpolating moving least-squares methods for fitting potential energy surfaces: computing high-density potential energy surface data from low-density ab initio data points

The Journal of chemical physics, 2007-05, Vol.126 (18), p.184108

2007

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Theoretical/experimental comparison of deep tunneling decay of quasi-bound H(D)OCO to H(D) + CO

The Journal of chemical physics, 2014-08, Vol.141 (5), p.054304-054304

2014

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Improving the accuracy of interpolated potential energy surfaces by using an analytical zeroth-order potential function

The Journal of chemical physics, 2004-04, Vol.120 (14), p.6414-6422

2004

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A classical trajectory study of the intramolecular dynamics, isomerization, and unimolecular dissociation of HO2

The Journal of chemical physics, 2013-08, Vol.139 (8), p.084319-084319

2013

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Introduction to Active Thermochemical Tables: Several “Key” Enthalpies of Formation Revisited

Interpolating moving least-squares methods for fitting potential energy surfaces: a strategy for efficient automatic data point placement in high dimensions

Shift-and-invert parallel spectral transformation eigensolver: Massively parallel performance for density-functional based tight-binding

Pressure effects on the relaxation of an excited nitromethane molecule in an argon bath

Active Thermochemical Tables: thermochemistry for the 21st century

Improved Multidimensional Semiclassical Tunneling Theory

On the Enthalpy of Formation of Hydroxyl Radical and Gas-Phase Bond Dissociation Energies of Water and Hydroxyl

Pressure effects on the vibrational and rotational relaxation of vibrationally excited OH (ν, J) in an argon bath

Autobiography of Albert F. Wagner

Normal mode analysis on the relaxation of an excited nitromethane molecule in argon bath

Evidence for a Lower Enthalpy of Formation of Hydroxyl Radical and a Lower Gas-Phase Bond Dissociation Energy of Water

Interpolating moving least-squares methods for fitting potential energy surfaces: applications to classical dynamics calculations

Pressure Effects on the Relaxation of an Excited Ethane Molecule in High-Pressure Bath Gases

Mode‐specific pressure effects on the relaxation of an excited nitromethane molecule in an argon bath

Benchmark Calculations of Energetic Properties of Groups 4 and 6 Transition Metal Oxide Nanoclusters Including Comparison to Density Functional Theory

Theoretical/experimental comparison of deep tunneling decay of quasi-bound H(D)OCO to H(D) + CO2

Anharmonic Rovibrational Partition Functions for Fluxional Species at High Temperatures via Monte Carlo Phase Space Integrals

Interpolating moving least-squares methods for fitting potential energy surfaces: Analysis of an application to a six-dimensional system

SIESTA‐SIPs: Massively parallel spectrum‐slicing eigensolver for an ab initio molecular dynamics package

Ab Initio Wavenumber Accurate Spectroscopy: 1CH2 and HCN Vibrational Levels on Automatically Generated IMLS Potential Energy Surfaces

Interpolating moving least-squares methods for fitting potential-energy surfaces: Further improvement of efficiency via cutoff strategies

Interpolating moving least-squares methods for fitting potential energy surfaces: computing high-density potential energy surface data from low-density ab initio data points

Theoretical/experimental comparison of deep tunneling decay of quasi-bound H(D)OCO to H(D) + CO

Improving the accuracy of interpolated potential energy surfaces by using an analytical zeroth-order potential function

A classical trajectory study of the intramolecular dynamics, isomerization, and unimolecular dissociation of HO2

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