P. Verlaque

Asymmetric Catalysis by Chiral Hydrogen‐Bond Donors

Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs

Proton Conductivity:  Materials and Applications

Interpretive Spectroscopy for Near Infrared

Ab initiomolecular dynamics: basic concepts, current trends and novel applications

NBO 6.0: Natural bond orbital analysis program

Bent Hydrogen Bonds and Proton Transfers

Exchange functionals with improved long-range behavior and adiabatic connection methods without adjustable parameters: The mPW and mPW1PW models

DFT and AIM studies of intramolecular hydrogen bonds in dicoumarols

Near‐Infrared Reflectance Spectroscopy–Principal Components Regression Analyses of Soil Properties

Stable Carbenes

Toward a general protocol for the study of static and dynamic properties of hydrogen-bonded systems

Toward reliable density functional methods without adjustable parameters: The PBE0 model

Ab initio study of the potential-energy well of malondialdehyde on varying the O⋯O distance

Evidence for Intramolecular N−H···O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation

Maximally localized Wannier functions: Theory and applications

Reactivity of Carbenes and Ketenes in Low-Temperature Matrices. Carbene CO Trapping, Wolff Rearrangement, and Ketene−Pyridine Ylide (Zwitterion) Observation

Assessing Atropisomer Axial Chirality in Drug Discovery and Development

Proton transfer in the ground and lowest excited states of malonaldehyde: A comparative density functional and post-Hartree–Fock study

Quantum Mechanical Continuum Solvation Models

Hydrogen-bonding in glycine and malonaldehyde: Performance of the Lap1 correlation functional

Natural resonance theory: III. Chemical applications

Experimental and theoretical studies of the photoisomerization of malonaldehyde isolated in rare gas matrixes

Filter, Fourier Transform Infrared, and Areometry, for Following Alcoholic Fermentation in Wines

Experimental and theoretical studies of malonaldehyde: vibrational analysis of a strongly intramolecularly hydrogen bonded compound

FT-IR study of UV-induced isomerization of intramolecularly hydrogen-bonded carbonyl compounds isolated in xenon matrices

Photolysis of .alpha.-diazo ketones in the gas phase monitored by Fourier-transform infrared spectrometry