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Industry Integrated Engineering and Computing Education: Advances, Cases, Frameworks, and Toolkits for Implementation

1st ed. 2019., 2019

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Photochemistry of transition metal hydrides and dihydrogen complexes: theoretical aspects

Chemical physics letters, 1990-07, Vol.170 (5), p.441-445

Veillard, Alain

1990

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Theoretical study of the cis-trans isomerism in disubstituted d6 metal carbonyls

Inorganic chemistry, 1989-03, Vol.28 (6), p.1170-1173

1989

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Compact spectrum recording, a new binary process maximizing the use of a recording channel

IEEE transactions on magnetics, 1984-09, Vol.20 (5), p.891-893

Veillard, D.

1984

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Failure of the CNDO/2 method for predicting the conformations in some systems with “localized” bonds

Chemical physics letters, 1975-05, Vol.33 (1), p.15-17

Veillard, A.

1975

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Valence ionization potentials of anionic phosphate esters: An ab initio quantum mechanical study

International journal of quantum chemistry, 1997, Vol.65 (6), p.1095-1106

1997

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Distortional effects on the internal rotation in hydrogen peroxyde

Chemical physics letters, 1969-10, Vol.4 (2), p.51-52

Veillard, A.

1969

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Structure of Mn2(CO)10 and Mn2(CO)9: Insights from ab initio calculations

International journal of quantum chemistry, 1992-05, Vol.42 (4), p.965-976

1992

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Bulk properties or not: The electronic structure of small metal clusters

The Journal of chemical physics, 1981-01, Vol.75 (7), p.3443-3453

1981

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Electronic Structure of Lithiumacetylene

The Journal of chemical physics, 1968-01, Vol.48 (5), p.2012-2016

Veillard, Alain

1968

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Comments on “geometrical changes during the internal rotation in ethane”

Chemical physics letters, 1969-08, Vol.3 (8), p.565-566

Veillard, A.

1969

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A CAS SCF CCI study of the lowest excited states of HMn(CO) 5 and Fe(CO) 5

Chemical physics letters, 1987-11, Vol.141 (4), p.329-333

1987

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Correlation Energy in Atomic Systems. V. Degeneracy Effects for the Second-Row Atoms

The Journal of chemical physics, 1968-01, Vol.49 (5), p.2415-2421

1968

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Sudden polarization binuclear complexes of transition metals

Chemical physics letters, 1982-01, Vol.90 (2), p.160-165

1982

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Gaussian basis sets for transition metals of the second series

Theoretica Chimica Acta, 1984-01, Vol.65 (3), p.215-218

1984

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The metal—rare-gas interaction. The dispersion energy of Mo(CO) 5Kr

Chemical physics letters, 1979-09, Vol.66 (1), p.13-16

1979

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HCo(CO)4 and HCo(CO)3 revisited : structure and electronic states through ab initio calculations

Journal of physical chemistry (1952), 1990, Vol.94 (14), p.5556-5559

1990

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Barrier to internal rotation in hydrogen persulphide

Chemical physics letters, 1970, Vol.4 (8), p.476-478

1970

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AB initio calculation of activation energy for an SN2 reaction

Chemical physics letters, 1970-05, Vol.5 (6), p.328-330

1970

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Conformation and hyperfine splittings of the acetyl radical through ab initio calculations

Chemical physics letters, 1971-02, Vol.8 (3), p.267-270

1971

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An ab initio LCAO-MO-SCF study of reaction paths for proton transfer in ammonium aqueous solution

Molecular physics, 1975-03, Vol.29 (3), p.849-871

1975

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Excited states and electronic spectrum of ferrocene

Chemical physics letters, 1974-12, Vol.29 (3), p.466-468

1974

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On convergence guarantees for the multi-configuration self-consistent field theory

Molecular physics, 1973-09, Vol.26 (3), p.595-603

1973

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An MC SCF calculation for the ammonia molecule

Chemical physics letters, 1972-08, Vol.15 (2), p.248-253

1972

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Conformational preferences of the axial ligands in some metalloporphyrins. A theoretical study

Theoretica Chimica Acta, 1984-01, Vol.65 (3), p.219-231

1984

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Industry Integrated Engineering and Computing Education: Advances, Cases, Frameworks, and Toolkits for Implementation

Photochemistry of transition metal hydrides and dihydrogen complexes: theoretical aspects

Theoretical study of the cis-trans isomerism in disubstituted d6 metal carbonyls

Compact spectrum recording, a new binary process maximizing the use of a recording channel

Failure of the CNDO/2 method for predicting the conformations in some systems with “localized” bonds

Valence ionization potentials of anionic phosphate esters: An ab initio quantum mechanical study

Distortional effects on the internal rotation in hydrogen peroxyde

Structure of Mn2(CO)10 and Mn2(CO)9: Insights from ab initio calculations

Bulk properties or not: The electronic structure of small metal clusters

Electronic Structure of Lithiumacetylene

Comments on “geometrical changes during the internal rotation in ethane”

A CAS SCF CCI study of the lowest excited states of HMn(CO) 5 and Fe(CO) 5

Correlation Energy in Atomic Systems. V. Degeneracy Effects for the Second-Row Atoms

Sudden polarization binuclear complexes of transition metals

Gaussian basis sets for transition metals of the second series

The metal—rare-gas interaction. The dispersion energy of Mo(CO) 5Kr

HCo(CO)4 and HCo(CO)3 revisited : structure and electronic states through ab initio calculations

Barrier to internal rotation in hydrogen persulphide

AB initio calculation of activation energy for an SN2 reaction

Conformation and hyperfine splittings of the acetyl radical through ab initio calculations

An ab initio LCAO-MO-SCF study of reaction paths for proton transfer in ammonium aqueous solution

Excited states and electronic spectrum of ferrocene

On convergence guarantees for the multi-configuration self-consistent field theory

An MC SCF calculation for the ammonia molecule

Conformational preferences of the axial ligands in some metalloporphyrins. A theoretical study

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