Study of the Electronic Structure of Molecules. XII. Hydrogen Bridges in the Guanine–Cytosine Pair and in the Dimeric Form of Formic Acid

The hydrogen bond

1960 • 3,255 citations

Hydrogen Bonding in Solids

1968 • 737 citations

Proton Tunneling in DNA and its Biological Implications

1963 • 600 citations

Spectroscopic Studies of the Hydrogen Bond. II. The Shift of the O–H Vibrational Frequency in the Formation of the Hydrogen Bond

1937 • 547 citations

ELECTRONIC ASPECTS OF BIOCHEMISTRY

1966 • 450 citations

Study of the Electronic Structure of Molecules. II. Wavefunctions for the NH3+HCl→NH4Cl Reaction

1967 • 234 citations

Computation of Molecular Properties and Structure

1968 • 232 citations

Theory of the Hydrogen Bond: Electronic Structure and Properties of the Water Dimer

1969 • 189 citations

An Electron Diffraction Investigation of the Monomers and Dimers of Formic, Acetic and Trifluoroacetic Acids and the Dimer of Deuterium Acetate¹

1944 • 183 citations

Study of the Electronic Structure of Molecules. III. Pyrrole Ground-State Wavefunction

1967 • 145 citations

HYDROGEN BRIDGES IN ORGANIC COMPOUNDS^*

1936 • 140 citations

SCF-MO Wave Functions for the Hydrogen Fluoride Molecule

1962 • 138 citations

The stereochemistry of deoxyribonucleic acid. I. Covalent bond lengths and angles

1959 • 125 citations

Study of the electronic structure of molecules. X

1969 • 123 citations

Intermolecular energies of small water polymers

1969 • 115 citations

Barrier to Internal Rotation in Ethane

1966 • 113 citations

Studies of Hydrogen-Bonded Systems. I. The Electronic Structure and the Double Well Potential of the N–H···N Hydrogen Bond of the Guanine—Cytosine Base Pair

1964 • 112 citations

Study of the Electronic Structure of Molecules. VII. Inner and Outer Complex in the NH4Cl Formation from NH3 and HCl

1967 • 93 citations

Study of the Electronic Structure of Molecules. V. All-Electron SCF Wavefunction for the Ground State of Pyrazine

1967 • 83 citations

Van der Waals-London interactions and the configuration of hydrogen-bonded purine and pyrimidine pairs.

1966 • 81 citations

The Infra-Red Absorption of Carboxylic Acids in Solution I. Qualitative Features

1938 • 80 citations

Study of the Electronic Structure of Molecules. VI. Charge-Transfer Mechanism for the NH3+HCl⇆NH4Cl Reaction

1967 • 75 citations

<scp>LCAO</scp>–<scp>MO</scp> studies on hydrogen bonding: The interaction between carbonyl and hydroxyl groups

1969 • 75 citations

Semiempirical SCF—LCAO—MO Calculation of the Electronic Structure of the Guanine—Cytosine Base Pair: Possible Interpretation of the Mutagenic Effect of Radiation

1964 • 65 citations

Study of the Hydrogen Bonding in the Adenine—Thymine, Adenine—Cytosine, and Guanine—Thymine Base Pairs

1967 • 63 citations

SCF MO LCGO studies on hydrogen bondng. The water dimer

1969 • 63 citations

Surface Thermodynamic Functions for Noble-Gas Crystals

1969 • 62 citations

Electronic Delocalization and Biochemical Evolution

1962 • 57 citations

Energy Band Structure of Polynucleotides in the Hückel Approximation

1964 • 51 citations

Study of the Electronic Structure of Molecules. VIII. All-Electron SCF Wavefunctions for Pyridine Positive Ion, 2A2

1967 • 44 citations

Structure and Barrier to Internal Rotation of Formic Acid from Microwave Data

1955 • 19 citations

Chemistry and computers

2009 • 12 citations

Nuclear Magnetic Resonance Studies Concerning the Effect of Adjacent Hydrogen Atoms on the Hydrogen-Bond Properties

1964 • 8 citations