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Double‐hybrid density functionals
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Accurate Thermochemistry for Large Molecules with Modern Density Functionals
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Electron correlation methods based on the random phase approximation
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Accurate quadruple-ζ basis-set approximation for double-hybrid density functional theory with an order of magnitude reduction in computational cost
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RI-MP2: first derivatives and global consistency
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The second-order approximate coupled cluster singles and doubles model CC2
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A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
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A fifth-order perturbation comparison of electron correlation theories
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Construction of the adiabatic connection
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Time-dependent density functional theory within the Tamm–Dancoff approximation
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A TDDFT study of the lowest excitation energies of polycyclic aromatic hydrocarbons
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Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second Derivatives and Benchmark Studies
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Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals—Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions
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Electronic Excitations of Simple Cyanine Dyes: Reconciling Density Functional and Wave Function Methods
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Double-Hybrid Density Functionals Provide a Balanced Description of Excited 1La and 1Lb States in Polycyclic Aromatic Hydrocarbons
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Obtaining Good Performance With Triple-ζ-Type Basis Sets in Double-Hybrid Density Functional Theory Procedures
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Performance of the van der Waals Density Functional VV10 and (hybrid)GGA Variants for Thermochemistry and Noncovalent Interactions
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Nonlocal van der Waals Approach Merged with Double-Hybrid Density Functionals: Toward the Accurate Treatment of Noncovalent Interactions
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Is There Still Room for Parameter Free Double Hybrids? Performances of PBE0-DH and B2PLYP over Extended Benchmark Sets
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Investigation of Exchange Energy Density Functional Accuracy for Interacting Molecules
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A General Database for Main Group Thermochemistry, Kinetics, and Noncovalent Interactions − Assessment of Common and Reparameterized (meta-)GGA Density Functionals
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Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
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Scaling all correlation energy in perturbation theory calculations of bond energies and barrier heights
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Reactivity Models of Hydrogen Activation by Frustrated Lewis Pairs: Synergistic Electron Transfers or Polarization by Electric Field?
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A C–C Bonded Phenoxyl Radical Dimer with a Zero Bond Dissociation Free Energy
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Rationalizing the Reactivity of Frustrated Lewis Pairs: Thermodynamics of H2 Activation and the Role of Acid−Base Properties
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How to Compute Isomerization Energies of Organic Molecules with Quantum Chemical Methods
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Doubly Hybrid Meta DFT: New Multi-Coefficient Correlation and Density Functional Methods for Thermochemistry and Thermochemical Kinetics
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Design of Density Functionals That Are Broadly Accurate for Thermochemistry, Thermochemical Kinetics, and Nonbonded Interactions
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Consistent Theoretical Description of 1,3-Dipolar Cycloaddition Reactions
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Bond Dissociation Energies and Radical Stabilization Energies: An Assessment of Contemporary Theoretical Procedures
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DSD-BLYP: A General Purpose Double Hybrid Density Functional Including Spin Component Scaling and Dispersion Correction
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The Melatonin Conformer Space: Benchmark and Assessment of Wave Function and DFT Methods for a Paradigmatic Biological and Pharmacological Molecule
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What Can We Learn about Dispersion from the Conformer Surface of n -Pentane?
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Conformational Equilibria in Butane-1,4-diol: A Benchmark of a Prototypical System with Strong Intramolecular H-bonds
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Double-Hybrid Functionals for Thermochemical Kinetics
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Semiempirical Double-Hybrid Density Functional with Improved Description of Long-Range Correlation
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Highly Accurate First-Principles Benchmark Data Sets for the Parametrization and Validation of Density Functional and Other Approximate Methods. Derivation of a Robust, Generally Applicable, Double-Hybrid Functional for Thermochemistry and Thermochemical Kinetics
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Calculation of Electronic Circular Dichroism Spectra with Time-Dependent Double-Hybrid Density Functional Theory
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Benzenium−Ethene Complex: A Fundamental Problem for Standard Second-Order Møller−Plesset Theory
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Optimization and Basis-Set Dependence of a Restricted-Open-Shell Form of B2-PLYP Double-Hybrid Density Functional Theory
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Calculation of Magnetic Couplings with Double-Hybrid Density Functionals
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Reaching a Uniform Accuracy for Complex Molecular Systems: Long-Range-Corrected XYG3 Doubly Hybrid Density Functional
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n-Alkane Isodesmic Reaction Energy Errors in Density Functional Theory Are Due to Electron Correlation Effects
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The electronic spectra of symmetric cyanine dyes: A CASPT2 study
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Multi-coefficient extrapolated density functional theory for thermochemistry and thermochemical kinetics
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Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
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Double-hybrid density functionals with long-range dispersion corrections: higher accuracy and extended applicability
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“Frustrated Lewis pairs”: a concept for new reactivity and catalysis
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Computation of accurate excitation energies for large organic molecules with double-hybrid density functionals
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Coulomb-only second-order perturbation theory in long-range-corrected hybrid density functionals
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Effects of London dispersion on the isomerization reactions of large organic molecules: a density functional benchmark study
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DSD-PBEP86: in search of the best double-hybrid DFT with spin-component scaled MP2 and dispersion corrections
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Investigating inclusion complexes using quantum chemical methods
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Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution
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Double-hybrid density functionals: merging wavefunction and density approaches to get the best of both worlds
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Effects of London dispersion correction in density functional theory on the structures of organic molecules in the gas phase
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Jacob’s ladder of density functional approximations for the exchange-correlation energy
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Efficient localized Hartree–Fock methods as effective exact-exchange Kohn–Sham methods for molecules
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Improved second-order Møller–Plesset perturbation theory by separate scaling of parallel- and antiparallel-spin pair correlation energies
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Scaled opposite-spin second order Møller–Plesset correlation energy: An economical electronic structure method
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The exchange-correlation potential in ab initio density functional theory
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Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits
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A post-Hartree–Fock model of intermolecular interactions
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A density-functional model of the dispersion interaction
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Semiempirical hybrid density functional with perturbative second-order correlation
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Ab initio correlation functionals from second-order perturbation theory
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Assessment of a long-range corrected hybrid functional
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Double-hybrid density functional theory for excited electronic states of molecules
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Systematic optimization of long-range corrected hybrid density functionals
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Simultaneous fitting of a potential-energy surface and its corresponding force fields using feedforward neural networks
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Assessment of double-hybrid energy functionals for π-conjugated systems
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Long-range corrected double-hybrid density functionals
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Hybrid functionals including random phase approximation correlation and second-order screened exchange
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A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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Fast computation of molecular random phase approximation correlation energies using resolution of the identity and imaginary frequency integration
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Nonlocal van der Waals density functional: The simpler the better
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Double-hybrid density-functional theory made rigorous
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Seeking for parameter-free double-hybrid functionals: The PBE0-DH model
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Communication: Rationale for a new class of double-hybrid approximations in density-functional theory
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Basis set convergence of explicitly correlated double-hybrid density functional theory calculations
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B2-PPW91: A promising double-hybrid density functional for the electric response properties
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Doubly hybrid density functional xDH-PBE0 from a parameter-free global hybrid model PBE0
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Quadratic configuration interaction. A general technique for determining electron correlation energies
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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
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Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions
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A new mixing of Hartree–Fock and local density-functional theories
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Density-functional thermochemistry. III. The role of exact exchange
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A density functional theory study of frequency-dependent polarizabilities and Van der Waals dispersion coefficients for polyatomic molecules
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Density-functional thermochemistry. IV. A new dynamical correlation functional and implications for exact-exchange mixing
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Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation
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Density functional results for isotropic and anisotropic multipole polarizabilities and C6, C7, and C8 Van der Waals dispersion coefficients for molecules
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Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory
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Exchange functionals with improved long-range behavior and adiabatic connection methods without adjustable parameters: The mPW and mPW1PW models
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Generalized gradient approximation to the angle- and system-averaged exchange hole
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Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional
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Toward reliable density functional methods without adjustable parameters: The PBE0 model
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Ab initiodynamics trajectory study of the heterolytic cleavage of H2 by a Lewis acid [B(C6F5)3] and a Lewis base [P(tBu)3]
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Orbital optimized double-hybrid density functionals
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Natural triple excitations in local coupled cluster calculations with pair natural orbitals
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Application of recent double-hybrid density functionals to low-lying singlet-singlet excitation energies of large organic compounds
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A comparison of geometric parameters from PBE-based doubly hybrid density functionals PBE0-DH, PBE0-2, and xDH-PBE0
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Double-hybrid density-functional theory with meta-generalized-gradient approximations
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Doubly hybrid density functional for accurate descriptions of nonbond interactions, thermochemistry, and thermochemical kinetics
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A fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz
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Structure and binding energies of the porphine dimer
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Thermochemical benchmarking of hydrocarbon bond separation reaction energies: Jacob's ladder is not reversed!
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Explicitly correlated benchmark calculations on C8H8 isomer energy separations: how accurate are DFT, double-hybrid, and composite ab initio procedures?
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A Simple Range-Separated Double-Hybrid Density Functional Theory for Excited States
inferred← citeshttps://doi.org/10.1021/acs.jctc.0c01306openalex-snapshot
Single-Point Hessian Calculations for Improved Vibrational Frequencies and Rigid-Rotor-Harmonic-Oscillator Thermodynamics
inferred← citeshttps://doi.org/10.1021/acs.jctc.1c00093openalex-snapshot
Linear-Scaling Open-Shell MP2 Approach: Algorithm, Benchmarks, and Large-Scale Applications
inferred← citeshttps://doi.org/10.1021/acs.jctc.1c00271openalex-snapshot
Spin-Opposite-Scaled Range-Separated Exchange Double-Hybrid Models (SOS-RSX-DHs): Marriage Between DH and RSX/SOS-RSX Is Not Always a Happy Match
inferred← citeshttps://doi.org/10.1021/acs.jctc.1c00422openalex-snapshot
Spin-Scaled Range-Separated Double-Hybrid Density Functional Theory for Excited States
inferred← citeshttps://doi.org/10.1021/acs.jctc.1c00535openalex-snapshot
Time-Dependent Long-Range-Corrected Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite Scaling: A Comprehensive Analysis of Singlet–Singlet and Singlet–Triplet Excitation Energies
inferred← citeshttps://doi.org/10.1021/acs.jctc.1c00981openalex-snapshot
Electronic Energy and Local Property Errors at QTAIM Critical Points while Climbing Perdew’s Ladder of Density-Functional Approximations
inferred← citeshttps://doi.org/10.1021/acs.jctc.1c01100openalex-snapshot
Accurate Spectral Properties within Double-Hybrid Density Functional Theory: A Spin-Scaled Range-Separated Second-Order Algebraic-Diagrammatic Construction-Based Approach
inferred← citeshttps://doi.org/10.1021/acs.jctc.2c00082openalex-snapshot
Optimal Tuning Perspective of Range-Separated Double Hybrid Functionals
inferred← citeshttps://doi.org/10.1021/acs.jctc.2c00426openalex-snapshot
Explicitly Correlated Double-Hybrid DFT: A Comprehensive Analysis of the Basis Set Convergence on the GMTKN55 Database
inferred← citeshttps://doi.org/10.1021/acs.jctc.2c00641openalex-snapshot
Revisiting the Orbital Energy-Dependent Regularization of Orbital-Optimized Second-Order Møller–Plesset Theory
inferred← citeshttps://doi.org/10.1021/acs.jctc.2c00782openalex-snapshot
Full Implementation, Optimization, and Evaluation of a Range-Separated Local Hybrid Functional with Wide Accuracy for Ground and Excited States
inferred← citeshttps://doi.org/10.1021/acs.jctc.2c00883openalex-snapshot
Systematic Evaluation of Counterpoise Correction in Density Functional Theory
inferred← citeshttps://doi.org/10.1021/acs.jctc.2c01201openalex-snapshot
Toward Pair Atomic Density Fitting for Correlation Energies with Benchmark Accuracy
inferred← citeshttps://doi.org/10.1021/acs.jctc.2c01222openalex-snapshot
Double-Hybrid Density Functional Theory for Core Excitations: Theory and Benchmark Calculations
inferred← citeshttps://doi.org/10.1021/acs.jctc.3c00347openalex-snapshot
TURBOMOLE: Today and Tomorrow
inferred← citeshttps://doi.org/10.1021/acs.jctc.3c00363openalex-snapshot
Vertical Ionization Potentials and Electron Affinities at the Double-Hybrid Density Functional Level
inferred← citeshttps://doi.org/10.1021/acs.jctc.3c00558openalex-snapshot
Benchmarking Density Functional Theory Methods for Metalloenzyme Reactions: The Introduction of the MME55 Set
inferred← citeshttps://doi.org/10.1021/acs.jctc.3c00674openalex-snapshot
RPA, an Accurate and Fast Method for the Computation of Static Nonlinear Optical Properties
inferred← citeshttps://doi.org/10.1021/acs.jctc.3c00744openalex-snapshot
Local Second-Order Møller–Plesset Theory with a Single Threshold Using Orthogonal Virtual Orbitals: Theory, Implementation, and Assessment
inferred← citeshttps://doi.org/10.1021/acs.jctc.3c00857openalex-snapshot
Toward an Accurate Black-Box Tool for the Kinetics of Gas-Phase Reactions Involving Barrier-less Elementary Steps
inferred← citeshttps://doi.org/10.1021/acs.jctc.3c00896openalex-snapshot
Assessment of DLPNO-MP2 Approximations in Double-Hybrid DFT.
inferred← citeshttps://doi.org/10.1021/acs.jctc.3c01147openalex-snapshot
Cost-Effective Approach for Modeling of Multiresonant Thermally Activated Delayed Fluorescence Emitters
inferred← citeshttps://doi.org/10.1021/acs.jctc.3c01424openalex-snapshot
High-Performance Multi-GPU Analytic RI-MP2 Energy Gradients
inferred← citeshttps://doi.org/10.1021/acs.jctc.4c00166openalex-snapshot
Analysis and Assessment of Knowles’ Partitioning in Many-Body Perturbation Theory
inferred← citeshttps://doi.org/10.1021/acs.jctc.4c00814openalex-snapshot
An Efficient RI-MP2 Algorithm for Distributed Many-GPU Architectures
inferred← citeshttps://doi.org/10.1021/acs.jctc.4c00911openalex-snapshot
Reconciling Accuracy and Feasibility for Barrierless Reaction Steps by the PCS/DDCI/MC-PDFT Protocol: Methane and Ethylene Dissociations as Case Studies
inferred← citeshttps://doi.org/10.1021/acs.jctc.4c01016openalex-snapshot
Local Second Order Moller-Plesset Theory with a Single Threshold Using Orthogonal Virtual Orbitals: A Distributed Memory Implementation
inferred← citeshttps://doi.org/10.1021/acs.jctc.4c01376openalex-snapshot
Understanding the Core Limitations of Second-Order Correlation-Based Functionals Through: Functional, Orbital, and Eigenvalue-Driven Analysis
inferred← citeshttps://doi.org/10.1021/acs.jctc.4c01477openalex-snapshot
Improving Exchange-Correlation Potentials of Standard Density Functionals with the Optimized-Effective-Potential Method for Higher Accuracy of Excitation Energies
inferred← citeshttps://doi.org/10.1021/acs.jctc.4c01547openalex-snapshot
An Analysis of Regularized Second-Order Energy Expressions in the Context of Post-HF and KS-DFT Calculations: What Do We Gain and What Do We Lose?
inferred← citeshttps://doi.org/10.1021/acs.jctc.5c00420openalex-snapshot
Computing Bulk Phase IR Spectra from Finite Cluster Data via Equivariant Neural Networks
inferred← citeshttps://doi.org/10.1021/acs.jctc.5c00534openalex-snapshot
Regularized Second-Order Møller–Plesset Theory: Linear Scaling Implementation and Assessment on Large-Molecule Problems
inferred← citeshttps://doi.org/10.1021/acs.jctc.5c01022openalex-snapshot
Crystallochromism: A Hybrid Model for the Spectral Properties of Quinacridone Polymorphs
inferred← citeshttps://doi.org/10.1021/acs.jctc.5c01222openalex-snapshot
Multicomponent Double-Hybrid Density Functional Theory
inferred← citeshttps://doi.org/10.1021/acs.jctc.5c01358openalex-snapshot
More Numerical Precision for Less Compute Cost: Optimizing a Local Correlation Algorithm for Second Order Møller–Plesset Theory and Comparing against Pair Natural Orbital Methods
inferred← citeshttps://doi.org/10.1021/acs.jctc.5c01430openalex-snapshot
Assessment of Strong-Correlation Corrected Range-Separated Local Hybrid Functionals for Metalloenzyme Reactions
inferred← citeshttps://doi.org/10.1021/acs.jctc.6b00007openalex-snapshot
α-Hydrogen Abstraction by •OH and •SH Radicals from Amino Acids and Their Peptide Derivatives
inferred← citeshttps://doi.org/10.1021/acs.jctc.6b00554openalex-snapshot
Frequency Scale Factors for Some Double-Hybrid Density Functional Theory Procedures: Accurate Thermochemical Components for High-Level Composite Protocols
inferred← citeshttps://doi.org/10.1021/acs.jctc.6b01140openalex-snapshot
Construction of a Spin-Component Scaled Dual-Hybrid Random Phase Approximation
inferred← citeshttps://doi.org/10.1021/acs.jctc.6c00150openalex-snapshot
Double-Hybrid Density Functional Theory within the Cluster-in-Molecule Local Correlation Framework for Large Molecular Systems
inferred← citeshttps://doi.org/10.1021/acs.jctc.6c00347openalex-snapshot
An Improved Size-Consistent Second-Order Brillouin–Wigner Perturbation Theory: Which Desirable Properties Are Compatible with Unconditional Size-Consistency and Optimized Chemical Accuracy?
inferred← citeshttps://doi.org/10.1021/acs.jctc.6c01147openalex-snapshot
Multi-GPU MBE(3)-OSV-MP2 for Performant Large-Scale Ab Initio Calculations
inferred← citeshttps://doi.org/10.1021/acs.jctc.7b00154openalex-snapshot
A Modular Implementation for the Simulation of 1D and 2D Solid-State NMR Spectra of Quadrupolar Nuclei in the Virtual Multifrequency Spectrometer–Draw Graphical Interface
inferred← citeshttps://doi.org/10.1021/acs.jctc.7b00386openalex-snapshot
Time-Dependent Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite Scaling
inferred← citeshttps://doi.org/10.1021/acs.jctc.7b00627openalex-snapshot
Speed-Up of the Excited-State Benchmarking: Double-Hybrid Density Functionals as Test Cases
inferred← citeshttps://doi.org/10.1021/acs.jctc.7b01183openalex-snapshot
Comprehensive Thermochemical Benchmark Set of Realistic Closed-Shell Metal Organic Reactions
inferred← citeshttps://doi.org/10.1021/acs.jctc.8b00120openalex-snapshot
Numerical Nuclear Second Derivatives on a Computing Grid: Enabling and Accelerating Frequency Calculations on Complex Molecular Systems
inferred← citeshttps://doi.org/10.1021/acs.jctc.8b00261openalex-snapshot
Range-Separated Double-Hybrid Functional from Nonempirical Constraints
inferred← citeshttps://doi.org/10.1021/acs.jctc.8b00337openalex-snapshot
Wavefunction-like Correlation Model for Use in Hybrid Density Functionals
inferred← citeshttps://doi.org/10.1021/acs.jctc.8b00624openalex-snapshot
Efficient and Accurate Prediction of Nuclear Magnetic Resonance Shielding Tensors with Double-Hybrid Density Functional Theory
inferred← citeshttps://doi.org/10.1021/acs.jctc.8b01203openalex-snapshot
Small Basis Set Allowing the Recovery of Dispersion Interactions with Double-Hybrid Functionals
inferred← citeshttps://doi.org/10.1021/acs.jctc.9b00013openalex-snapshot
ωB2PLYP and ωB2GPPLYP: The First Two Double-Hybrid Density Functionals with Long-Range Correction Optimized for Excitation Energies
inferred← citeshttps://doi.org/10.1021/acs.jctc.9b00391openalex-snapshot
Combined Density Functional and Algebraic-Diagrammatic Construction Approach for Accurate Excitation Energies and Transition Moments
inferred← citeshttps://doi.org/10.1021/acs.jctc.9b00854openalex-snapshot
A Quadratic Pair Atomic Resolution of the Identity Based SOS-AO-MP2 Algorithm Using Slater Type Orbitals
inferred← citeshttps://doi.org/10.1021/acs.jctc.9b00911openalex-snapshot
Noncollinear Relativistic Two-Component X2C Calculations of Hyperfine Couplings Using Local Hybrid Functionals. Importance of the High-Density Coordinate Scaling Limit
inferred← citeshttps://doi.org/10.1021/acs.jctc.9b01089openalex-snapshot
Efficient and Accurate Approach To Estimate Hybrid Functional and Large Basis-Set Contributions to Condensed-Phase Systems and Molecule–Surface Interactions
inferred← citeshttps://doi.org/10.1021/acs.joc.1c00058openalex-snapshot
Beyond Chemical Accuracy for Alkane Thermochemistry: The DHthermo Approach
inferred← citeshttps://doi.org/10.1021/acs.joc.3c01225openalex-snapshot
Can Catenated Nitrogen Compounds with Amine-like Structures Become Candidates for High-Energy-Density Compounds?
inferred← citeshttps://doi.org/10.1021/acs.jpca.0c03596openalex-snapshot
Domain Separated Density Functional Theory for Reaction Energy Barriers and Optical Excitations
inferred← citeshttps://doi.org/10.1021/acs.jpca.0c05386openalex-snapshot
Catalysis on Pristine 2D Materials via Dispersion and Electrostatic Interactions
inferred← citeshttps://doi.org/10.1021/acs.jpca.1c01294openalex-snapshot
Exploring Avenues beyond Revised DSD Functionals: I. Range Separation, with xDSD as a Special Case
inferred← citeshttps://doi.org/10.1021/acs.jpca.1c01295openalex-snapshot
Exploring Avenues beyond Revised DSD Functionals: II. Random-Phase Approximation and Scaled MP3 Corrections
inferred← citeshttps://doi.org/10.1021/acs.jpca.1c02549openalex-snapshot
Analysis of Recent BLYP- and PBE-Based Range-Separated Double-Hybrid Density Functional Approximations for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions
inferred← citeshttps://doi.org/10.1021/acs.jpca.1c05124openalex-snapshot
Coupled Cluster Benchmark of New DFT and Local Correlation Methods: Mechanisms of Hydroarylation and Oxidative Coupling Catalyzed by Ru(II, III) Chloride Carbonyls
inferred← citeshttps://doi.org/10.1021/acs.jpca.1c06559openalex-snapshot
Improving Perturbation Theory for Open-Shell Molecules via Self-Consistency
inferred← citeshttps://doi.org/10.1021/acs.jpca.1c07113openalex-snapshot
Density Functional Calculations Based on the Exponential Ansatz
inferred← citeshttps://doi.org/10.1021/acs.jpca.1c08964openalex-snapshot
Gas Phase Protolysis of Trisarylzincate Anions
inferred← citeshttps://doi.org/10.1021/acs.jpca.2c01193openalex-snapshot
Double Hybrids and Noncovalent Interactions: How Far Can We Go?
inferred← citeshttps://doi.org/10.1021/acs.jpca.2c03922openalex-snapshot
Benefits of Range-Separated Hybrid and Double-Hybrid Functionals for a Large and Diverse Data Set of Reaction Energies and Barrier Heights
inferred← citeshttps://doi.org/10.1021/acs.jpca.2c04635openalex-snapshot
Unique Dispersion-Induced Tetrel Bond with Co-operative σ-hole-Induced Pnicogen Bond in the POCl3-Acetone Heterodimer: Experimental Confirmation at Low Temperatures
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