Molecular Bonding Studies

This cluster examines molecular interaction parameters and the nature of bonding in organic compounds. Research focuses on utilizing experimental and computational methods to gain insights into molecular structures.

molecular bonding
interaction parameters
structure analysis
computational modeling
experimental techniques

12,354 papers

Parent topic: Advanced Catalysis and Material Science

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Papers Over Time

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Top Papers

Tables Of Bond Lengths Determined By X-ray And Neutron Diffraction. Part 1. Bond Lengths In Organic Compounds

1987 · 6,930 citations

The Reticular Chemistry Structure Resource (RCSR) Database Of, And Symbols For, Crystal Nets

2008 · 2,046 citations

A Reëxamination Of The Hammett Equation.

1953 · 1,877 citations

The Use Of Global And Local Molecular Parameters For The Analysis Of The Gas-Phase Basicity Of Amines

1986 · 1,655 citations

Definition Of The Hydrogen Bond (IUPAC Recommendations 2011)

2011 · 1,524 citations

The Franck‐Condon Principle And Its Application To Crystals

1952 · 1,234 citations

Theoretical Relations Among Rate Constants, Barriers, And Broensted Slopes Of Chemical Reactions

1968 · 975 citations

Merck Molecular Force Field. II. MMFF94 Van Der Waals And Electrostatic Parameters For Intermolecular Interactions

1996 · 938 citations

An Extended Table Of Hammett Substitutent Constants Based On The Ionization Of Substituted Benzoic Acids

1958 · 933 citations

The Nature Of The Hydrogen Bond

2009 · 760 citations

Thermodynamic Properties Of Solutions Of Long-Chain Compounds

1942 · 757 citations

Empirical Parameters For Donor And Acceptor Properties Of Solvents

1976 · 721 citations

Benzene Forms Hydrogen Bonds With Water

1992 · 688 citations

Intramolecular Long-Distance Electron Transfer In Radical Anions. The Effects Of Free Energy And Solvent On The Reaction Rates

1984 · 686 citations

Molecular Mechanics. The MM3 Force Field For Hydrocarbons. 3. The Van Der Waals' Potentials And Crystal Data For Aliphatic And Aromatic Hydrocarbons

1989 · 685 citations

Molecular Mechanics. The MM3 Force Field For Hydrocarbons. 2. Vibrational Frequencies And Thermodynamics

1989 · 653 citations

Reactions Of C−H Bonds In Water

2007 · 612 citations

The Enthalpy-Entropy Relationship And Its Implications For Organic Chemistry

1955 · 596 citations

Water Molecule Interactions

1970 · 553 citations

ORTEP-III: Oak Ridge Thermal Ellipsoid Plot Program For Crystal Structure Illustrations

1996 · 518 citations