Theoretical study of the electronic spectrum of diimide by AB initio methods

Individualized configuration selection in CI calculations with subsequent energy extrapolation

1974 • 1,246 citations

Individualized configuration selection in CI calculations with subsequent energy extrapolation

1974 • 831 citations

Gaussian Lobe Function Expansions of Hartree—Fock Solutions for the First-Row Atoms and Ethylene

1966 • 432 citations

Configuration Interaction Studies of Ground and Excited States of Polyatomic Molecules. I. The CI Formulation and Studies of Formaldehyde

1969 • 284 citations

Molecular geometry and the Mulliken-Walsh molecular orbital model. Ab initio study

1974 • 230 citations

Chemical Spectroscopy and Photochemistry in the Vacuum-Ultraviolet

1974 • 164 citations

ULTRAVIOLET ABSORPTION SPECTRA OF HCN AND DCN: I. THE α—X AND β—X SYSTEMS

1957 • 140 citations

549. Excited states of acetylene. Part I. Possibilities of interaction between σ-bond hybridisation and π-electron excitation with resulting changes of shape during transitions

1953 • 139 citations

Combined SCF and CI Method for the Calculation of Electronically Excited States of Molecules: Potential Curves for the Low-Lying States of Formaldehyde

1970 • 136 citations

A new interpretation for the structure of the VN bands of ethylene

1971 • 120 citations

Combined SCF and CI Calculations for the Low-Lying Rydberg and Valence Excited States of Ethylene

1971 • 110 citations

Non-empirical calculations on the electronic spectrum of butadiene

1972 • 109 citations

Calculation of the electronic spectrum of formaldehyde

1971 • 101 citations

Infrared Detection of Diimide, N2H2, and Imidogen, NH, by the Matrix Isolation Method

1965 • 97 citations

Comparison of the molecular structure and spectra of benzene and borazine

1970 • 96 citations

Diimide—Identification and Study by Mass Spectrometry

1958 • 95 citations

Ab Initio SCF MO and CI Calculations on the Electronic Spectrum of Benzene

1968 • 93 citations

Vibrational analysis of the electronic spectrum of ethylene based onab initio SCF-CI calculations

1972 • 88 citations

Electronic States of the Azoalkanes

1967 • 82 citations

Non-empirical SCF and Cl Study of the ground and excited states of thioformaldehyde

1974 • 71 citations

Shapes of simple polyatomic molecules and ions. I. Series HAAH and BAAB

1970 • 70 citations

An ab initio SCF-LCAO-MO study of the nitrogen inversion barriers in methylenimine, diimide and carbodiimide

1968 • 70 citations

A molecular orbital study of the isomerization mechanism of diazacumulenes

1968 • 69 citations

Infrared and Raman spectra of solid and matrix isolated diimide, HNNH

1973 • 67 citations

AB initio calculation of vertical transition energies of the C2H2 molecule

1974 • 65 citations

Measurement of Absolute Infrared Absorption Intensities in Crystals

1961 • 65 citations

The infrared and ultraviolet absorption spectra of diimide (N₂H₂)

1968 • 54 citations

Non-empirical calculations on the rydberg states of ethylene

1974 • 53 citations

Comparison of cartesian and lobe function Gaussian basis sets

1970 • 50 citations

Quantum Organic Photochemistry. IV. The Photoisomerization of Diimide and Azoalkanes

1973 • 50 citations

Di-imide: Some Physical and Chemical Properties, and the Kinetics and Stoichiometry of the Gas-phase Decomposition

1973 • 44 citations

Infrared Spectrum and Structure of Diimide

1964 • 36 citations

Theoretical Predictions on the Structures of Diimide

1970 • 35 citations

Combined SCF and CI calculations of the spectrum of SiH

1971 • 26 citations

Structure of diimide

1969 • 24 citations

Vibrational potential function for diimide, HNNH

1974 • 24 citations

The Thermal cis-trans Isomerization of Diimide. A Theoretical Study

1967 • 23 citations

On the electronic structure of N2H2. A possible triplet ground state in diazines

1973 • 23 citations

Electronic spectroscopy of t r a n s-azomethane by electron impact

1975 • 19 citations

Infrared Spectrum of Diimide

1961 • 16 citations

Stability of Di-imide

1973 • 11 citations

Infrared spectra of solid di-imide, N2H2, and deuteriodi-imide, N2D2

1971 • 10 citations

Drop Calorimetry of the Complex Compounds CsMnCl₃, Cs₂MnCl₄, and Cs₂ZrCl₆

1974 • 4 citations