Vibrational frequencies from anharmonic ab initio/empirical potential energy functions. I. Method and application to H2O, HNO, HOF and HOCl

Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

1969 • 2,327 citations

Rotation-Vibration Spectra of Deuterated Water Vapor

1956 • 1,300 citations

Simplification of the molecular vibration-rotation hamiltonian

1968 • 1,081 citations

Tables of molecular vibrational frequencies. Consolidated volume II

1977 • 1,057 citations

Anharmonic force constant calculations

1972 • 942 citations

Gaussian basis sets for the first and second row atoms

1970 • 497 citations

Variational calculation of vibration-rotation energy levels for triatomic molecules

1975 • 349 citations

Analytical potentials for triatomic molecules from spectroscopic data

1975 • 331 citations

THE SPECTRUM AND STRUCTURE OF THE HNO MOLECULE

1958 • 236 citations

H3 +: A b i n i t i o calculation of the vibration spectrum

1976 • 215 citations

Selective Two-Step (STS) Photoionization of Atoms and Photodissociation of Molecules by Laser Radiation

1972 • 192 citations

Improved potential functions for bent AB2 molecules: Water and ozone

1976 • 181 citations

The interacting states (020), (100), and (001) of H216O

1974 • 151 citations

Das Rotationsschwingungsspektrum des Wasserdampfes. I

1933 • 149 citations

Variational calculation of low-lying and excited vibrational levels of the water molecule

1976 • 101 citations

Isotopic separation by photopredissociation

1972 • 91 citations

Matrix-isolation study of the reaction of H atoms with NO

1973 • 89 citations

An anharmonic force field for carbonyl sulphide

1975 • 87 citations

Laser Stark spectroscopy of the fundamental bands of HNO (ν2 and ν3) and DNO (ν1 and ν2)

1977 • 81 citations

Comparison of Experimentally Derived and Theoretically Calculated Derivatives of the Energy, Kinetic Energy, and Potential Energy for CO

1966 • 80 citations

Millimeter-Wave Spectrum and Structure of Hypofluorous Acid: HOF and DOF

1972 • 76 citations

The interacting states (030), (110), and (011) of H216O

1976 • 75 citations

Das Rotationsschwingungsspektrum des Wasserdampfes. II

1933 • 67 citations

Unrestricted Hartree—Fock calculation of force constants and vibrational frequencies of the HCO radical

1974 • 66 citations

Spectrum of water vapor in the 1.9 and 2.7μ regions

1973 • 65 citations

Atmospheric Absorption Line Compilation

1973 • 61 citations

Matrix infrared spectra of hypobromous acid and hypochlorous acid

1967 • 60 citations

The vibrational frequencies of HNO

1973 • 58 citations

Laser Separation of Isotopes

1977 • 54 citations

High resolution infrared spectra of water vapor

1969 • 53 citations

Microwave spectrum, structure and electric quadrupole coupling constants of HOCl

1971 • 51 citations

The Infrared Spectra of HOCl and DOCl

1951 • 50 citations

Theoretical study of the photodissociation of HOCl

1978 • 49 citations

Das Rotationsschwingungsspektrum des Wasserdampfes. III

1933 • 49 citations

Force constants and equilibrium geometries in H2O2 and other small molecules containing an OH group

1976 • 48 citations

High-resolution infrared spectra of water vapor ν2 band of H218O

1971 • 44 citations

Line positions of H2O in the 1.33 to 1.45 micron region

1975 • 43 citations

A PNO-CI and CEPA investigation of unstable boron-nitrogen and boron-oxygen compounds

1978 • 42 citations

Infrared Spectrum of Water Vapor. Part I—The 6.26μ Region

1956 • 40 citations

Ab initio prediction of the vibration spectra of the deuterated species of H+3

1977 • 39 citations

Vibration-rotation wavefunctions and energies for the ground electronic state of the water molecule by a variational method

1974 • 38 citations

The infrared spectrum of HOCl

1967 • 37 citations

On selective laser photochemical reactions by means of photopredissociation of molecules

1972 • 36 citations

Gas-Phase Infrared Spectra of HOF and DOF

1972 • 35 citations

Direct measurement of population on molecular vibrational levels excited by laser radiation

1972 • 35 citations

Spectral Emissivities and Integrated Intensities of the 1.87-, 1.38-, and 1.14-μ H2O Bands between 1000° and 2200°K

1964 • 33 citations

Anharmonic Potential Functions of Simple Molecules. II. Direct Numerical Diagonalization of Vibratinal Hamiltonian Matrix and Its Application to CO₂and CS₂

1975 • 32 citations

Vibration-rotation wavefunctions and energies for any molecule obtained by a variational method

1974 • 31 citations

Infrared Spectra of T2O, THO, and TDO

1956 • 30 citations

Energy Transfer in Hot Gases.

1954 • 28 citations

Spectrum of H218O and H217O in the 6974 to 7387 cm−1 region

1977 • 28 citations

Quantum chemical calculations of formyl radicals

1975 • 27 citations

Vibration-rotation analysis of some nonlinear molecules by a variational method

2009 • 25 citations

On the infrared spectrum of HOCl

1971 • 23 citations

The microwave spectrum and structure of hypochlorous acid

1969 • 21 citations

Flame-emission spectrum of water vapor in the 1.9-micron region

1954 • 20 citations

Reaktionen von Molekülen in definierten Schwingungszuständen (V), Schwingungsangeregte mehratomige Moleküle im Elektronengrundzustand: CH₃F(2v₃, v₁, v₄) + D(²S), O(³P)*)

1977 • 18 citations

Ab initiostretching force constants for HCCH, FCCH and C1CCH

1978 • 16 citations

Atmospheric Absorption of Water Vapor between<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>1.42</mml:mn><mml:mi>μ</mml:mi></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>2.50</mml:mn><mml:mi>μ</mml:mi></mml:math>

1948 • 15 citations

The ν2 fundamental vibration-rotation band of T2O

1972 • 14 citations

Vibrational Energies for Isotopically Substituted Water: Application to Laser Isotope Separation

1976 • 13 citations

Energy transfer in hot gases

1954 • 13 citations

Absorption of Water Vapor Between<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>1.34</mml:mn><mml:mi>μ</mml:mi></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>1.97</mml:mn><mml:mi>μ</mml:mi></mml:math>

1948 • 12 citations

Anab initioSCF calculation of the general quartic force field for HNO

1976 • 10 citations