Pierre Isnard

Efficient use of the correlation consistent basis sets in resolution of the identity MP2 calculations

Natural energy decomposition analysis: An energy partitioning procedure for molecular interactions with application to weak hydrogen bonding, strong ionic, and moderate donor–acceptor interactions

Intermolecular potentials for CH4, CH3F, CHF3, CH3Cl, CH2Cl2, CH3CN, and CO2

NBO 6.0: Natural bond orbital analysis program

Gaussian basis sets for use in correlated molecular calculations. IX. The atoms gallium through krypton

Minimal basis sets in calculations of intermolecular interaction energies

Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response properties

Carrier-Based Ion-Selective Electrodes and Bulk Optodes. 1. General Characteristics

Multipole moments, polarizabilities, and hyperpolarizabilities for N2 from fourth-order many-body perturbation theory calculations

Basis-set convergence of correlated calculations on water

Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post-d group 16–18 elements

A semiclassical theory for spectral line broadening in molecules

Semiclassical theory of the effects of collisions between rotors on molecular spectral line shapes. I

Influence of the potential function on the determination of multipole moments from pressure-induced far-infrared spectra

Property-optimized Gaussian basis sets for molecular response calculations

Hybrid treatment combining the translation- and rotation-free nuclear orbital plus molecular orbital theory with generator coordinate method: TRF-NOMO/GCM

Temperature dependence of N2-broadened halfwidths of water vapor: The pure rotation and ν2 bands

Accurate prediction of static polarizabilities and hyperpolarizabilities. A study on FH (X 1Σ+)

Gaussian basis sets for use in correlated molecular calculations. V. Core-valence basis sets for boron through neon

A perturbation method for calculating vibrational dynamic dipole polarizabilities and hyperpolarizabilities

Pure and Pseudo-pure Fluid Thermophysical Property Evaluation and the Open-Source Thermophysical Property Library CoolProp

Homochiral and Heterochiral Dimers of the Methylzinc Alkoxide Formed from Dimethylzinc and Enantiomeric 3‐exo‐(Dimethylamino)isoborneol—Origin of the Distinct Differences in Solution‐Phase Behavior and Crystal Structures

A Reference Equation of State for the Thermodynamic Properties of Sulfur Hexafluoride (SF6) for Temperatures from the Melting Line to 625K and Pressures up to 150MPa

Polarizabilities and hyperpolarizabilities of carbon dioxide

Energy considerations show that low-barrier hydrogen bonds do not offer a catalytic advantage over ordinary hydrogen bonds

THE HITRAN MOLECULAR SPECTROSCOPIC DATABASE AND HAWKS (HITRAN ATMOSPHERIC WORKSTATION): 1996 EDITION

COMPASS:  An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds

On the determination of the intermolecular potential between a tetrahedral molecule and an atom or a linear or a tetrahedral molecule—application to CH₄ molecule

Line-widths in the vibration rotation spectra of diatomic molecules perturbed by tetrahedral molecules

Influence of the angle-dependent part of the dispersion forces on the thermodynamical and spectral properties of gaseous SF₆

Largeurs des raies de la transition 00°1 → (10°0; 02°0)I de CO2 perturbe par l'argon