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29 works

Work: The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

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Works citing this work

Rheological and simulation for macromolecular matrix epoxy bi-functional aromatic amines

Atmospheric pressure chemical ionization of explosives using alternating current corona discharge ion source

Exploration of hydrogen evolution reaction (HER) by using first row transition metals doped B6 complexes as support materials

Relation between Halogen Bond Strength and IR and NMR Spectroscopic Markers

Relationship between structural properties and biological activity of (-)-menthol and some menthyl esters

Heavy pnicogen atoms as electron donors in sigma-hole bonds

Non-proximate mass spectrometry using a heated 1-m long PTFE tube and an air-tight APCI ion source

Multiple investigations of aqueous Eu(<scp>iii</scp>)–oxalate complexes: the reduction in coordination number and validation of spectral linear correlation

Determination of Mn(II) ions in soil samples by means of a sensitive sorption-spectroscopic method

Competition Between Halogen Atom and Ring of Halobenzenes as Hydrogen Bond Electron Donor Sites

Synthesis, structure, and assessment of aromaticity of the 1,3,4-oxadiazole ring in N- and S-alkyl derivatives of 5-phenyl-1,3,4-oxadiazol-2-thione using the Bird index

Low‐pressure barrier discharge ion source using air as a carrier gas and its application to the analysis of drugs and explosives

Competition between Binding to Various Sites of Substituted Imidazoliums

Promising density functional theory methods for predicting the structures of uranyl complexes

A theoretical investigation of substituent effects on the stability and reactivity of N-heterocyclic olefin carboxylates

A mechanistic study on guanidine-catalyzed chemical fixation of CO<sub>2</sub>with 2-aminobenzonitrile to quinazoline-2,4(1H,3H)-dione

Isotope exchange reaction in tritium-contaminated vacuum pump oil: mechanism and HTO effect

Comparison of the Ability of N‐Bases to Engage in Noncovalent Bonds

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Halogen Bonding to the π‐Systems of Polycyclic Aromatics

Types of noncovalent bonds within complexes of thiazole with CF<sub>4</sub> and SiF<sub>4</sub>

Semicoordinate versus σ-Hole Bonding of Group 10 Metal Atoms in a Square Planar Motif

Replacement of hydrogen by halogen bonds within nucleic acid base pairs

Synthesis, Crystal Structure, Spectroscopic Characterization, and Computational Insights into a 5,6,7,8‐Tetrahydroisoquinoline Derivative with Naphthyl Substituent