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Cyan Fluorescent Protein: Molecular Dynamics, Simulations, and Electronic Absorption Spectrum

The journal of physical chemistry. B, 2005-12, Vol.109 (50), p.24121-24133

2005

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Molecular Dynamics Simulations of Electron−Alkali Cation Pairs in Bulk Water

The journal of physical chemistry. B, 2006-01, Vol.110 (1), p.607-615

2006

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Solvated Electron Pairing with Earth Alkaline Metals in THF. 1. Formation and Structure of the Pair with Divalent Magnesium

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-03, Vol.107 (10), p.1506-1516

2003

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Pulse Radiolysis Study of Solvated Electron Pairing with Alkaline Earth Metals in Tetrahydrofuran. 3. Splitting of p-Like Excited States of Solvated Electron Perturbed by Metal Cations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-02, Vol.108 (6), p.987-995

2004

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Double photoionization of Ca: a theoretical study

Journal of physics. B, Atomic, molecular, and optical physics, 2000-07, Vol.33 (13), p.2409-2418

2000

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Alcohol to water catalyzed by Pt nanoparticles: an experimental and computational approach

RSC advances, 2012-01, Vol.2 (16), p.6686

2012

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Nature of the Differential Electron Correlation in Three-Electron Bond Dissociations. Efficiency of a Simple Two-Configuration Valence Bond Method with Breathing Orbitals

Journal of physical chemistry (1952), 1994-11, Vol.98 (45), p.11697-11704

1994

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Molecular dynamics simulations of the Ag+ or Na+ cation with an excess electron in bulk water

The Journal of chemical physics, 2004-03, Vol.120 (11), p.5261-5268

2004

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Monte Carlo Simulations of Ag+ and Ag in Aqueous Solution. Redox Potential of the Ag+/Ag Couple

The journal of physical chemistry. B, 2001-09, Vol.105 (38), p.9363-9369

2001

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A simple determination of the potential energy curves and couplings for long-range charge-transfer reactions. Application to the system (ArN 2)

Chemical physics, 1986-07, Vol.106 (1), p.51-68

1986

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Methodology for the Calculation of the Potential of Mean Force for a Cation-π Complex in Water

Chemphyschem, 2007-08, Vol.8 (11), p.1648-1656

2007

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Direct calculation of non-adiabatic states using non-orthogonal CI. Application to the study of the (ArCO)+ cluster

Chemical physics, 1995-04, Vol.193 (1-2), p.55-66

Archirel, P.

1995

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Cyan fluorescent protein: Molecular dynamics, simulations, and electronic absorption spectrum

The journal of physical chemistry. B, 2005, Vol.109 (50), p.24121-24133

2005

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Theoretical study of the rearrangement of Ag(NH 3) 2 after electronic excitation. Comparison with Na(NH 3) 2

Chemical physics letters, 2000-06, Vol.323 (1), p.1-6

2000

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On the R2PI spectrum of AgNH3: a theoretical study of the quasidegeneracy of the first excited states

Chemical physics letters, 2000-06, Vol.323 (1-2), p.7-13

2000

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Evaluation of the Redox Potential of Ag1I(CN)2-/Ag10(CN)22- in Aqueous Solution

Journal of physical chemistry (1952), 1995-08, Vol.99 (35), p.13198-13202

1995

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Double core excitation at the sulfur K edge in H2S, SO2 and SF6

Journal of electron spectroscopy and related phenomena, 1996-05, Vol.79, p.357-360

1996

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Bond formation between positively charged species. Non-adiabatic analysis and valence-bond model in the CO2+ case

Chemical physics, 1991-06, Vol.153 (3), p.387-398

1991

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Reactivity of an Excess Electron with Monovalent Cations in Bulk Water by Mixed Quantum Classical Molecular Dynamics Simulations

Molecular simulation, 2004-09, Vol.30 (11-12), p.749-754

2004

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Preoptimised VB: a fast method for the ground and excited states of ionic clusters I. Localised preoptimisation for (ArCO)+, (ArN2)+ and N4

Chemical physics, 1997-09, Vol.221 (3), p.225-236

1997

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Preoptimised VB: a fast method for the ground and excited states of ionic clusters I. Localised preoptimisation for (ArCO) +, (ArN 2) + and N 4

Chemical physics, 1997, Vol.221 (3), p.225-236

1997

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Potential energy surfaces for the (ArCO)+ system

The Journal of chemical physics, 1990-01, Vol.92 (2), p.1211-1220

1990

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A simple determination of the potential energy curves and coupling for long-range charge-transfer reactions: application to the system (ArN2)

Chemical physics, 1986, Vol.106 (1), p.51-68

1986

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Double core excitation at the sulfur K edge in H 2S, SO 2 and SF 6

Journal of electron spectroscopy and related phenomena, 1996, Vol.79, p.357-360

1996

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Bond formation between positively charged species. Non-adiabatic analysis and valence-bond model in the CO 2+ case

Chemical physics, 1991, Vol.153 (3), p.387-398

1991

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Cyan Fluorescent Protein: Molecular Dynamics, Simulations, and Electronic Absorption Spectrum

Molecular Dynamics Simulations of Electron−Alkali Cation Pairs in Bulk Water

Solvated Electron Pairing with Earth Alkaline Metals in THF. 1. Formation and Structure of the Pair with Divalent Magnesium

Pulse Radiolysis Study of Solvated Electron Pairing with Alkaline Earth Metals in Tetrahydrofuran. 3. Splitting of p-Like Excited States of Solvated Electron Perturbed by Metal Cations

Double photoionization of Ca: a theoretical study

Alcohol to water catalyzed by Pt nanoparticles: an experimental and computational approach

Nature of the Differential Electron Correlation in Three-Electron Bond Dissociations. Efficiency of a Simple Two-Configuration Valence Bond Method with Breathing Orbitals

Molecular dynamics simulations of the Ag+ or Na+ cation with an excess electron in bulk water

Monte Carlo Simulations of Ag+ and Ag in Aqueous Solution. Redox Potential of the Ag+/Ag Couple

A simple determination of the potential energy curves and couplings for long-range charge-transfer reactions. Application to the system (ArN 2)

Methodology for the Calculation of the Potential of Mean Force for a Cation-π Complex in Water

Direct calculation of non-adiabatic states using non-orthogonal CI. Application to the study of the (ArCO)+ cluster

Cyan fluorescent protein: Molecular dynamics, simulations, and electronic absorption spectrum

Theoretical study of the rearrangement of Ag(NH 3) 2 after electronic excitation. Comparison with Na(NH 3) 2

On the R2PI spectrum of AgNH3: a theoretical study of the quasidegeneracy of the first excited states

Evaluation of the Redox Potential of Ag1I(CN)2-/Ag10(CN)22- in Aqueous Solution

Double core excitation at the sulfur K edge in H2S, SO2 and SF6

Bond formation between positively charged species. Non-adiabatic analysis and valence-bond model in the CO2+ case

Reactivity of an Excess Electron with Monovalent Cations in Bulk Water by Mixed Quantum Classical Molecular Dynamics Simulations

Preoptimised VB: a fast method for the ground and excited states of ionic clusters I. Localised preoptimisation for (ArCO)+, (ArN2)+ and N4

Preoptimised VB: a fast method for the ground and excited states of ionic clusters I. Localised preoptimisation for (ArCO) +, (ArN 2) + and N 4

Potential energy surfaces for the (ArCO)+ system

A simple determination of the potential energy curves and coupling for long-range charge-transfer reactions: application to the system (ArN2)

Double core excitation at the sulfur K edge in H 2S, SO 2 and SF 6

Bond formation between positively charged species. Non-adiabatic analysis and valence-bond model in the CO 2+ case

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