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List of works by Ad van der Avoird

A theoretical and experimental study of pressure broadening of the oxygen A-band by helium

scientific article published on 01 May 2014

Ab initio calculation of the NH(3sigma-)-NH(3sigma-) interaction potentials in the quintet, triplet, and singlet states

scientific article published on 01 November 2005

Ab initio computed diabatic potential energy surfaces of OH-HCl.

scientific article published in June 2005

Ab initio potential and rotational spectra of the CO-N2 complex

scientific article published in January 2018

Ab initio potential energy surface and microwave spectrum of the NH3-N2 van der Waals complex

scientific article published on 01 June 2020

Ab initio potential energy surfaces for NH((3)sigma(-))-NH((3)sigma(-)) with analytical long range

scientific article published on 01 December 2009

Ab initio potential-energy surface and rovibrational states of the HCN–HCl complex

scientific article published on 01 May 2006

Ab initio treatment of the chemical reaction precursor complex Br(2P)-HCN. 1. Adiabatic and diabatic potential surfaces

scientific article published on 14 June 2007

Ab initio treatment of the chemical reaction precursor complex Br(2P)-HCN. 2. Bound-state calculations and infrared spectra

scientific article published on 14 June 2007

Ab initio treatment of the chemical reaction precursor complex Cl(2P)-HF. 1. Three-dimensional diabatic potential energy surfaces

scientific article published on 01 April 2006

Ab initio treatment of the chemical reaction precursor complex Cl(2P)-HF. 2. Bound states and infrared spectrum

scientific article published in April 2006

Ab initio vibrational‐rotational spectrum of potassium cyanide: KCN. II. Large amplitude motions and rovibrational coupling

article

Ab initiopotential-energy surface for the reaction Ca+HCl→CaCl+H

scientific article published on 22 May 2005

An accurate analytic representation of the water pair potential

scientific article published on 10 July 2008

Bound state spectroscopy of NH-He

scientific article

Bound states of the OH(2Pi)-HCl complex on ab initio diabatic potentials

scientific article published on 01 September 2009

Characterization of methanol as a magnetic field tracer in star-forming regions

scholarly article

Cold Collisions in a Molecular Synchrotron.

scientific article published in January 2018

Cold and ultracold NH-NH collisions in magnetic fields

Cold and ultracold NH–NH collisions: The field-free case

scientific article published on 01 March 2011

Collision dynamics of symmetric top molecules: a comparison of the rotationally inelastic scattering of CD3 and ND3 with He.

scientific article published in April 2014

Collision-induced absorption with exchange effects and anisotropic interactions: theory and application to H2 - H2.

scientific article

Collisional and photoinitiated reaction dynamics in the ground electronic state of Ca–HCl

scientific article published on 8 August 2005

Comment on "Communication: Benzene dimer--the free energy landscape" [J. Chem. Phys. 139, 201102 (2013)]

scientific article published on 01 June 2014

Communication: Magnetic dipole transitions in the OH A 2Σ+ ← X 2Π system.

scientific article published in September 2012

Communication: Multiple-property-based diabatization for open-shell van der Waals molecules

scientific article published in March 2016

Concluding remarks

scientific article published on 01 December 2018

Correction to Differential Cross Sections for State-to-State Collisions of NO(v = 10) in Near-Copropagating Beams

scientific article published on 12 November 2019

Correlated energy transfer in rotationally and spin-orbit inelastic collisions of NO(X2Π1/2, j = 1/2f) with O2(X3Σg-)

scientific article published on 01 May 2018

Determining the nature of quantum resonances by probing elastic and reactive scattering in cold collisions

scientific article published on 30 November 2020

Differential Cross Sections for State-to-State Collisions of NO( v = 10) in Near-Copropagating Beams

scientific article published on 30 April 2019

Direct Extraction of Alignment Moments from Inelastic Scattering Images

scientific article

Direct observation of product-pair correlations in rotationally inelastic collisions of ND3 with D2

scientific article published on 16 January 2019

Directly probing anisotropy in atom–molecule collisions through quantum scattering resonances

Effects of the potential anisotropy on the calculated fine-structure spectrum of O2He

Energy dependent parity-pair behavior in NO + He collisions

scientific article published on 01 August 2018

Entrance Channel Effects in the Reaction of Aligned Ca(1P) with HCl

article

Erratum: "Hyperfine interactions and internal rotation in methanol" [J. Chem. Phys. 145, 244301 (2016)]

scientific article published on 01 April 2018

Experimental and theoretical investigation of resonances in low-energy NO-H<sub>2</sub> collisions

scientific article published on 01 December 2020

Experimental and theoretical investigation of the A 3pi-X 2sigma- transition of NH/D-Ne

scientific article published in March 2005

High-Resolution Imaging of Velocity-Controlled Molecular Collisions Using Counterpropagating Beams ⬇️

scientific article published in Physical Review Letters

Higher Energy States in the CO Dimer: Millimeter-Wave Spectra and Rovibrational Calculations†

scientific article published on 08 September 2007

Hyperfine interactions and internal rotation in methanol

scientific article published on 01 December 2016

Imaging diffraction oscillations for inelastic collisions of NO radicals with He and D2.

scientific article published in July 2017

Imaging inelastic scattering of CO with argon: polarization dependent differential cross sections

scientific article published on 01 May 2019

Imaging quantum stereodynamics through Fraunhofer scattering of NO radicals with rare-gas atoms

scientific article published on 31 October 2016

Imaging resonances in low-energy NO-He inelastic collisions ⬇️

scientific article published in Science

Imaging the inelastic scattering of vibrationally excited NO (v = 1) with Ar

article

Imaging the onset of the resonance regime in low-energy NO-He collisions

scientific article published on 01 May 2020

Inelastic Scattering of CO with He: Polarization Dependent Differential State-to-State Cross Sections

scientific article

Interaction potential for water dimer from symmetry-adapted perturbation theory based on density functional description of monomers

scientific article published on 01 July 2006

Intermolecular potential and rovibrational states of the H2O–D2 complex

Jahn-Teller effect in van der Waals complexes; Ar-C6H6 + and Ar-C6D6 +.

scientific article

Line-shape theory of the X3Σg-→a1Δg,b1Σg+ transitions in O2-O2 collision-induced absorption

scientific article published in August 2017

Molecular square dancing in CO-CO collisions

scientific article published on 01 July 2020

Molecules in confinement in clusters, quantum solvents and matrices: general discussion

scientific article published on 01 December 2018

Near dissociation states for H2+-He on MRCI and FCI potential energy surfaces

scientific article published on 11 November 2019

Near infrared overtone (vOH = 2 ← 0) spectroscopy of Ne-H2O clusters.

scientific article published in March 2017

New ab initio potential energy surface and the vibration-rotation-tunneling levels of (H2O)2 and (D2O)2.

scientific article published in January 2008

Nuclear spin/parity dependent spectroscopy and predissociation dynamics in vOH = 2 ← 0 overtone excited Ne-H2O clusters: Theory and experiment

scientific article published in December 2017

O2-O2 and O2-N2 collision-induced absorption mechanisms unravelled

scientific article published on 09 April 2018

Observation of correlated excitations in bimolecular collisions.

scientific article published on 19 February 2018

On the energy dependence of the steric effect for atom–molecule reactive scattering. II. The reaction Ca(1D)+CH3F(JKM=111)→CaF(2Π)+CH3

article

Overtone vibrational spectroscopy in H2-H2O complexes: A combined high level theoretical ab initio, dynamical and experimental study ⬇️

scientific article published on August 28, 2012

Polarizable interaction potential for water from coupled cluster calculations. I. Analysis of dimer potential energy surface

scientific article published on 01 March 2008

Polarizable interaction potential for water from coupled cluster calculations. II. Applications to dimer spectra, virial coefficients, and simulations of liquid water

scientific article published on 01 March 2008

Potential energy and dipole moment surfaces of the triplet states of the O2(X3Σg-) - O2(X3Σg-,a1Δg,b1Σg+) complex

scientific article published in August 2017

Potential energy surface and bound states of the H<sub>2</sub>O-HF complex

scientific article published on 01 December 2020

Precise characterisation of isolated molecules: general discussion

scientific article published on 01 December 2018

Predictions for water clusters from a first-principles two- and three-body force field

scientific article published on 01 May 2014

Predictions of the properties of water from first principles

scientific article published on 01 March 2007

Probing Scattering Resonances in (Ultra)Cold Inelastic NO–He Collisions

scientific article published on 27 January 2016

Publisher Correction: O2-O2 and O2-N2 collision-induced absorption mechanisms unravelled

scientific article published on 01 May 2018

QUANTUM-CHEMICAL CALCULATIONS REVEALING THE EFFECTS OF MAGNETIC FIELDS ON METHANOL

Quantitative characterization of the (D2O)3 torsional manifold by terahertz laser spectroscopy and theoretical analysis

Quantitative characterization of the water trimer torsional manifold by terahertz laser spectroscopy and theoretical analysis. II. (H2O)3

article

Quantum dynamical resonances in low-energy CO(j = 0) + He inelastic collisions

scientific article

Quantum dynamics of isolated molecules: general discussion

scientific article published on 01 December 2018

Quantum dynamics of the van der Waals molecule (N2)2: Anab initiotreatment

article

Quantum mechanical calculation of the collision-induced absorption spectra of N2-N2 with anisotropic interactions

scientific article

Quantum reactive scattering of ultracold NH(X (3)Σ(-)) radicals in a magnetic trap

scientific article published on 04 February 2013

Quantum scattering calculations for ro-vibrational de-excitation of CO by hydrogen atoms

scientific article

Quantum state–resolved molecular dipolar collisions over four decades of energy

scientific article published on 29 March 2023

Quantum-Chemical calculations revealing the effects of magnetic fields on methanol masers

Quantum-state resolved bimolecular collisions of velocity-controlled OH with NO radicals

scientific article published in November 2012

Resolving rainbows with superimposed diffraction oscillations in NO + rare gas scattering: experiment and theory

article by Jolijn Onvlee et al published 15 May 2015 in New Journal of Physics

Resonances in rotationally inelastic scattering of NH3 and ND3 with H2

scientific article published on 01 July 2015

Resonances in rotationally inelastic scattering of OH(X2Π) with helium and neon

scientific article published in April 2012

Rotational spectroscopy of the NH3-H2 molecular complex ⬇️

scientific article published in January 2017

Rotational-vibrational resonance states

scientific article published on 27 May 2020

Rotationally Inelastic Scattering of Quantum-State-Selected ND3 with Ar

scientific article published on 08 January 2015

Rotationally inelastic scattering of ND3with H2as a probe of the intermolecular potential energy surface

Rotationally inelastic scattering of OH by molecular hydrogen: Theory and experiment.

scientific article published on May 2015

Rovibrational states of the H2O–H2 complex: An ab initio calculation ⬇️

scientific article published on January 28, 2011

Scattering resonances in bimolecular collisions between NO radicals and H2 challenge the theoretical gold standard

scientific article published on 19 February 2018

Scattering resonances in slow NH3-He collisions.

scientific article published on February 2012

Semiclassical Calculations on the Energy Dependence of the Steric Effect for the Reactions Ca (1D) + CH3X (jkm= 111) → CaX + CH3with X = F, Cl, Br

Semiclassical calculations on the energy dependence of the steric effect for the reaction Ca(1D)+CH3F(jkm=111)→CaF+CH3

Spectra of water dimer from a new ab initio potential with flexible monomers ⬇️

scientific article published on July 7, 2012

Stark Interference of Electric and Magnetic Dipole Transitions in the A-X Band of OH.

scientific article published on 11 April 2016

Stark effect in the benzene dimer

scientific article

State-resolved diffraction oscillations imaged for inelastic collisions of NO radicals with He, Ne and Ar

scientific article published on 09 February 2014

State-to-State Differential Cross Sections for Inelastic Collisions of NO Radicals with para-H2 and ortho-D2.

scientific article published on 14 September 2017

State-to-state resolved differential cross sections for rotationally inelastic scattering of ND3with He

scientific article published on 01 January 2014

State-to-state scattering of highly vibrationally excited NO at broadly tunable energies

scientific article published on 11 May 2020

Steric asymmetry and lambda-doublet propensities in state-to-state rotationally inelastic scattering of NO(2Pi(1/2)) with He.

scientific article

Structure of the benzene dimer--governed by dynamics.

scientific article

The He–H3+ complex. I. Vibration-rotation-tunneling states and transition probabilities

scientific article published in 2022

The He–H3+ complex. II. Infrared predissociation spectrum and energy term diagram

scientific article published in 2022

The elusive S2 state, the S1/S2 splitting, and the excimer states of the benzene dimer

scientific article published on 01 June 2015

The interaction of OH(X²Π) with H₂: ab initio potential energy surfaces and bound states

scientific article published on 01 November 2014

Theoretical study of the He-HF+ complex. I. The two asymptotically degenerate ground state potential energy surfaces

scientific article published on 01 January 2004

Three-dimensional ab initio potential energy surface for H-CO(X̃(2)A').

scientific article published on 6 May 2013

Tomography of Feshbach resonance states

scientific article published on 06 April 2023

Total differential cross sections for Ar–CH4 from an ab initio potential

Unraveling the internal dynamics of the benzene dimer: a combined theoretical and microwave spectroscopy study.

scientific article

Update of the HITRAN collision-induced absorption section

article

Using a direct simulation Monte Carlo approach to model collisions in a buffer gas cell.

scientific article published in January 2017

Vibration-rotation-tunneling levels of the water dimer from an ab initio potential surface with flexible monomers

scientific article published in November 2009

Vibration-rotation-tunneling states of the benzene dimer: an ab initio study.

scientific article published on 20 May 2010

Water dimer vibration–rotation tunnelling levels from vibrationally averaged monomer wavefunctions

article

Water trimer torsional spectrum from accurate ab initio and semiempirical potentials

scientific article published on 01 January 2008

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