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Probing the photophysical capability of mono and bis(cyclometallated) Fe(ii) polypyridine complexes using inexpensive ground state DFT

Dalton transactions : an international journal of inorganic chemistry, 2014-11, Vol.43 (42), p.15898-15905

2014

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Towards integrated multi-sensor platform using dual electrochemical and optical detection for on-site pollutant detection in water

Biosensors & bioelectronics, 2019-05, Vol.132, p.90-96

2019

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Is the 3MLCT the Only Photoreactive State of Polypyridyl Complexes?

Inorganic chemistry, 2007-04, Vol.46 (8), p.3154-3165

2007

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Chain ordering of regioregular polythiophene films through blending with a nickel bisdithiolene complex

Applied physics letters, 2014-03, Vol.104 (10), p.103302

2014

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Size-consistent self-consistent truncated or selected configuration interaction

The Journal of chemical physics, 1993-07, Vol.99 (2), p.1240-1254

1993

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Ab initio calculations of structural and electronic properties of small silver bromide clusters

The Journal of chemical physics, 1999-11, Vol.111 (19), p.8925-8933

1999

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Rayleigh-Schrodinger QDPT for Hermitian intermediate Hamiltonians by the shift technique

Journal of physics. B, Atomic, molecular, and optical physics, 1992-02, Vol.25 (3), p.603-612

1992

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Size-consistent self-consistent combination of selected CI and perturbation theory

Chemical physics letters, 1994-02, Vol.218 (3), p.276-282

1994

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Probing the photophysical capability of mono and bis(cyclometallated) Fe(ii) polypyridine complexes using inexpensive ground state DFTElectronic supplementary information (ESI) available: Computational methods; selection of the functional used for TDDFT; effect of the vibrations at 293 K on the TDDFT spectra; absolute energy, Cartesian coordinates, computed UV-vis absorption spectrum and nature of the main transitions for all complexes; singlet and triplet excited states at the ground state geom

2014-10

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Comment on relativistic wave equations and negative-energy states

Physical review. A, General physics, 1986-06, Vol.33 (6), p.4426-4429

1986

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The Hyperfine Structure in the Alkaline-Earth Ions

Physica scripta, 1985-03, Vol.31 (3), p.169-172

1985

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Multireference self-consistent size-consistent configuration interaction method. A few applications to ground and excited states

Chemical physics letters, 1995-10, Vol.244 (5), p.440-447

1995

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Applicability of size-consistent self-consistent configuration interaction to excited states

Chemical physics letters, 1996-07, Vol.256 (6), p.589-594

1996

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Self-consistent intermediate Hamiltonians: A coupled cluster type formulation of the singles and doubles configuration interaction matrix dressing

The Journal of chemical physics, 1995-08, Vol.103 (7), p.2576-2588

1995

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On the origin of size inconsistency of the second-order state-specific effective Hamiltonian method

The Journal of chemical physics, 1996-10, Vol.105 (16), p.6887-6891

1996

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A relativistic pair equation projected onto positive energy states

Journal of physics. B, Atomic and molecular physics, 1987-04, Vol.20 (8), p.1679-1696

1987

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Improved theory of laser-enhanced ionization in flames: comparison with experiment

Journal of applied physics, 1984-05, Vol.55 (9), p.3215-3225

1984

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Approximate relativistic treatment of the interaction between external fields and atoms

Journal of physics. B, Atomic and molecular physics, 1982-11, Vol.15 (22), p.4079-4091

Heully, J L

1982

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Structure, stability, and vibrational properties of small silver cluster

Zeitschrift für Physik. D, Atoms, molecules, and clusters, 1997-01, Vol.40 (1), p.479-482

1997

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Is the 3 MLCT the Only Photoreactive State of Polypyridyl Complexes?

Inorganic chemistry, 2007-04, Vol.46 (8), p.3154-3165

2007

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Second-order perturbation on a SDCI calculation

Chemical physics letters, 1993-08, Vol.211 (6), p.625-630

1993

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Towards accurate all-electron quantum Monte Carlo calculations of transition-metal systems: spectroscopy of the copper atom

The Journal of chemical physics, 2005-09, Vol.123 (9), p.94102-94102

2005

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Eigenvalue problem formulation of coupled-cluster expansions through intermediate Hamiltonians

Chemical physics letters, 1995-03, Vol.234 (1), p.45-49

1995

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Many-body perturbation calculation on Be using a multiconfiguration model space and an intermediate Hamiltonian

The Journal of chemical physics, 1988-01, Vol.88 (2), p.1046-1052

1988

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Theoretical studies of the actinides: method calibration for the UO22+ and PuO22+ ions

Chemical physics letters, 1999-02, Vol.300 (3-4), p.296-302

1999

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Probing the photophysical capability of mono and bis(cyclometallated) Fe(ii) polypyridine complexes using inexpensive ground state DFT

Towards integrated multi-sensor platform using dual electrochemical and optical detection for on-site pollutant detection in water

Is the 3MLCT the Only Photoreactive State of Polypyridyl Complexes?

Chain ordering of regioregular polythiophene films through blending with a nickel bisdithiolene complex

Size-consistent self-consistent truncated or selected configuration interaction

Ab initio calculations of structural and electronic properties of small silver bromide clusters

Rayleigh-Schrodinger QDPT for Hermitian intermediate Hamiltonians by the shift technique

Size-consistent self-consistent combination of selected CI and perturbation theory

Comment on relativistic wave equations and negative-energy states

The Hyperfine Structure in the Alkaline-Earth Ions

Multireference self-consistent size-consistent configuration interaction method. A few applications to ground and excited states

Applicability of size-consistent self-consistent configuration interaction to excited states

Self-consistent intermediate Hamiltonians: A coupled cluster type formulation of the singles and doubles configuration interaction matrix dressing

On the origin of size inconsistency of the second-order state-specific effective Hamiltonian method

A relativistic pair equation projected onto positive energy states

Improved theory of laser-enhanced ionization in flames: comparison with experiment

Approximate relativistic treatment of the interaction between external fields and atoms

Structure, stability, and vibrational properties of small silver cluster

Is the 3 MLCT the Only Photoreactive State of Polypyridyl Complexes?

Second-order perturbation on a SDCI calculation

Towards accurate all-electron quantum Monte Carlo calculations of transition-metal systems: spectroscopy of the copper atom

Eigenvalue problem formulation of coupled-cluster expansions through intermediate Hamiltonians

Many-body perturbation calculation on Be using a multiconfiguration model space and an intermediate Hamiltonian

Theoretical studies of the actinides: method calibration for the UO22+ and PuO22+ ions

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