<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>X</mml:mi><mml:mi>α</mml:mi></mml:math>scattered-wave calculations for dimers and trimers of tetrathiafulvalene (TTF) and tetracyanoquinodimethane (TCNQ)

Organic charge-transfer complexes

1969 • 1,788 citations

The crystal structure of the 1:1 radical cation–radical anion salt of 2,2'-bis-l,3-dithiole (TTF) and 7,7,8,8-tetracyanoquinodimethane (TCNQ)

1974 • 522 citations

Elementary quantum chemistry

1968 • 500 citations

X-Ray-Diffuse-Scattering Evidence for a Phase Transition in Tetrathiafulvalene Tetracyanoquinodimethane (TTF-TCNQ)

1975 • 354 citations

Perspectives in structural chemistry

1988 • 270 citations

SCF‐X αSW calculations on PH₃ using a nonempirical scheme for choosing overlapping‐sphere radii

1974 • 253 citations

Neutron-Scattering Study of the 38- and 54-K Phase Transitions in Deuterated Tetrathiafulvalene- Tetracyanoquinodimethane (TTF-TCNQ)

1975 • 228 citations

Electronic Spectra and Electronic Structure of TCNQ Complexes

1976 • 226 citations

Band structure parameters for solid TTFTCNQ

1974 • 219 citations

Electronic Structure of Polymers and Molecular Crystals

1975 • 203 citations

Multiple scattering method based on overlapping atomic spheres with application to the TCNQ molecule

1974 • 158 citations

The UV spectra and their calculation of TCNQ and its mono- and di-valent anion

1972 • 141 citations

Pople-like SCF—LCAO—MO Treatment of 77′,88′-Tetracyanoquinodimethan and Its Univalent Anion

1967 • 140 citations

Organic metals

1976 • 100 citations

Ab initio SCF MO calculation of ionisation energies and charge distributions of TCNQ and its mono- and divalent anions

1974 • 95 citations

Elastic-neutron-scattering study of the phase transitions in tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ)

1976 • 95 citations

Direct Evaluation of the Charge Transfer in the Tetrathiafulvalene-Tetracyanoquinodimethane (TTF-TCNQ) Complex at 100°K by Numerical Integration of X-Ray Diffraction Amplitudes

1975 • 88 citations

Electrons in Finite and Infinite Structures

1977 • 85 citations

Polarized Absorption Spectra of Single Crystals of Ion Radical Salts. II. K(TCNQ) and Cs2(TCNQ)3

1971 • 84 citations

Direct Measurement of One-Dimensional Plasmon Dispersion and Damping

1975 • 69 citations

Electronic Structure of the Tetracyanoquinodimethane (TCNQ) Molecule

1974 • 64 citations

Study of tetrathiafulvalene (TTF) dimers and trimers in eclipsed and slipped geometries

1976 • 58 citations

A study of the electronic structures of SN, S2N2, S4N4, NO, and N2O2 and their implications for (SN)x

1976 • 58 citations

Tetrathiafulvalene Tetracyanoquinodimethane (TTF-TCNQ): A Zero-Bandgap Semiconductor?

1975 • 56 citations

From finite clusters of atoms to the infinite solid. I. Solution of the eigenvalue problem of a simple tight binding model for clusters of arbitrary size

1977 • 55 citations

Ab initio calculation of the electronic structure of TCNQ and its ions

1975 • 50 citations

Importance of Chemical Effects in Determining the Free-Electron-Like Band Structure of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">K</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>Pt<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mn /><mml:mo>(</mml:mo><mml:mi mathvariant="normal">CN</mml:mi><mml:mo>)</…

1975 • 47 citations

Intermolecular interactions in square-planar d8 metal complexes. II. Molecular orbital study of Magnus' green salt

1971 • 47 citations

Investigation of the electronic structure of the TCNQ-TTF system. I. TCNQ and TTF monomers and dimers in the all-valence-electron approximation

1975 • 44 citations

Investigation of the electronic structure of the TCNQ-TTF system

1975 • 38 citations

Theoretical models for oxidized rubredoxin. SCF-X.alpha.-SW [self-consistent field statistical-exchange-correlation scattered-wave] calculations on tetrathioferrate(5-), tetramercaptoferrate(1-), and tetrakis(methylthio)ferrate(1-) ions

1975 • 37 citations

Some electronic properties of TMPD, CA and TCNQ molecules and their mono- and diions

1974 • 35 citations

Molecular-cluster and band-structure calculations for<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi mathvariant="normal">SN</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>

1976 • 32 citations

Core Excitons in Tetrathiafulvalene-Tetracyanoquinodimethane (TTF-TCNQ)

1976 • 31 citations

Electronic structure of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>7</mml:mn><mml:mo>,</mml:mo><mml:mn>7</mml:mn><mml:mo>,</mml:mo><mml:mn>8</mml:mn><mml:mo>,</mml:mo><mml:mn>8</mml:mn><mml:mo>−</mml:mo><mml:mi mathvariant="normal">tetracyano</mml:mi><mml:mo>−</mml:mo><mml:mi>p</mml:mi><mml:mo>−</mml:mo><mml:mi mathvariant="normal">quinodimethane</mml:mi></mml:math>(TCNQ)

1976 • 31 citations

Molecular orbital studies of TTF and TCNQ dimers by the extended Hückel method

1976 • 25 citations

SCF calculation of the effective parameters for the hubbard model of TCNQ charge-transfer salts

1973 • 23 citations

Simple molecular model for crystalline tetrathiofulvalene-tetracyanoquinodimethane (TTF-TCNQ)

1975 • 22 citations

Electronic structure of the tetrathiofulvalene (TTF) molecule

1975 • 19 citations

On the nature of the interchain coupling in (SN)x

1976 • 19 citations

Calculation of electronic structure ofTCNQ molecule by self-consistent statistical-exchange multiple-scattering method

1974 • 15 citations

A note on the band structure of the TCNQ-TTF system

2009 • 8 citations

Estimation of intramolecular polaron coupling constants for tetracyanoquinodimethan and its anion

1976 • 5 citations