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Formation of novel rare-gas molecules in low-temperature matrices

Annual review of physical chemistry, 2004-01, Vol.55 (1), p.55-78

Gerber, R B

2004

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Gas phase dynamics, conformational transitions and spectroscopy of charged saccharides: the oxocarbenium ion, protonated anhydrogalactose and protonated methyl galactopyranoside

Physical chemistry chemical physics : PCCP, 2020-02, Vol.22 (7), p.4144-4157

2020

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Ab initio and semi-empirical Molecular Dynamics simulations of chemical reactions in isolated molecules and in clusters

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (21), p.976-9775

2014

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VSCF in internal coordinates and the calculation of anharmonic torsional mode transitions

Chemical physics, 2010-08, Vol.373 (3), p.267-273

2010

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A 1fs spin-flip in a chemical reaction: Photodissociation of HF in solid Ar

Chemical physics letters, 2007-06, Vol.441 (1-3), p.48-52

2007

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Dynamical u↔g electronic state transitions in matrix photochemistry: Photodissociation of F2 in solid Ar

Chemical physics letters, 2008-03, Vol.453 (4-6), p.173-177

2008

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A 1 fs spin-flip in a chemical reaction: Photodissociation of HF in solid Ar

Chemical physics letters, 2007-06, Vol.441 (1), p.48-52

2007

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Ultrafast photochemistry of methyl hydroperoxide on ice particles

Proceedings of the National Academy of Sciences - PNAS, 2010-04, Vol.107 (15), p.6600-6604

2010

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Theoretical study of anharmonic vibrational spectra of HNO3, HNO3–H2O, HNO4: Fundamental, overtone and combination excitations

Chemical physics, 2005-06, Vol.313 (1-3), p.213-224

2005

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Photodissociation of F2 in solid Ar: Electronic state distribution in cage-exit

Chemical physics, 2007-09, Vol.338 (2-3), p.200-206

2007

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Photodissociation of F 2 in solid Ar: Electronic state distribution in cage-exit

Chemical physics, 2007-09, Vol.338 (2), p.200-206

2007

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Dynamics of molecular photodissociation in clusters: a study of Ar…HCl

Chemical physics letters, 1991-11, Vol.186 (2), p.223-228

1991

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Selective energy and phase transfer in the photodissociation of I2 in argon clusters: Quantum dynamics simulations

Chemical physics letters, 2006-11, Vol.431 (1-3), p.199-203

2006

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Selective energy and phase transfer in the photodissociation of I 2 in argon clusters: Quantum dynamics simulations

Chemical physics letters, 2006-11, Vol.431 (1), p.199-203

2006

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The vibrational spectra of N-phenylpyrrole in the gas phase, in argon matrices and in single crystals

Chemical physics, 2007-03, Vol.333 (2), p.168-178

2007

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Molecular wave packet dynamics (in honour of Jörn Manz)

Chemical physics, 2007-09, Vol.338 (2), p.79-80

2007

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Theoretical study of anharmonic vibrational spectra of HNO 3, HNO 3–H 2O, HNO 4: Fundamental, overtone and combination excitations

Chemical physics, 2005, Vol.313 (1), p.213-224

2005

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Reorientation dynamics of electronic orbitals in condensed phases

Chemical physics letters, 1994-12, Vol.231 (4-6), p.395-400

1994

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Combined diffusion quantum Monte Carlo–vibrational self-consistent field (DQMC–VSCF) method for excited vibrational states of large polyatomic systems

Chemical physics letters, 1999-01, Vol.299 (5), p.437-442

1999

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Quantum molecular dynamics by a perturbation-corrected time-dependent self-consitent-field method

Chemical physics letters, 1991-09, Vol.184 (1), p.69-75

1991

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Adiabatic approximation and non-adiabatic effects for open-shell atoms in an inert solvent: F atoms in solid Kr

Chemical physics, 1994-12, Vol.189 (2), p.261-272

1994

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Reorientation dynamics of electronic orbitals in condensed phases: Simulations of F( 2P) atoms in solid Kr

Chemical physics letters, 1994-12, Vol.231 (4), p.395-400

1994

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Evidence for a cage effect in the UV photolysis of HBr in ArHBr. Theoretical and experimental results

Chemical physics letters, 1993-05, Vol.207 (4), p.504-509

1993

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Relativistic effects on interactions between heavy atoms: the HgHg potential

Chemical physics letters, 1977-08, Vol.49 (3), p.479-484

1977

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Simulations of hydrogen diffusion on BCC metal (110) surfaces; coverage and temperature dependence

Surface science, 2000-05, Vol.452 (1), p.95-107

2000

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Formation of novel rare-gas molecules in low-temperature matrices

Gas phase dynamics, conformational transitions and spectroscopy of charged saccharides: the oxocarbenium ion, protonated anhydrogalactose and protonated methyl galactopyranoside

Ab initio and semi-empirical Molecular Dynamics simulations of chemical reactions in isolated molecules and in clusters

VSCF in internal coordinates and the calculation of anharmonic torsional mode transitions

A 1fs spin-flip in a chemical reaction: Photodissociation of HF in solid Ar

Dynamical u↔g electronic state transitions in matrix photochemistry: Photodissociation of F2 in solid Ar

A 1 fs spin-flip in a chemical reaction: Photodissociation of HF in solid Ar

Ultrafast photochemistry of methyl hydroperoxide on ice particles

Theoretical study of anharmonic vibrational spectra of HNO3, HNO3–H2O, HNO4: Fundamental, overtone and combination excitations

Photodissociation of F2 in solid Ar: Electronic state distribution in cage-exit

Photodissociation of F 2 in solid Ar: Electronic state distribution in cage-exit

Dynamics of molecular photodissociation in clusters: a study of Ar…HCl

Selective energy and phase transfer in the photodissociation of I2 in argon clusters: Quantum dynamics simulations

Selective energy and phase transfer in the photodissociation of I 2 in argon clusters: Quantum dynamics simulations

The vibrational spectra of N-phenylpyrrole in the gas phase, in argon matrices and in single crystals

Molecular wave packet dynamics (in honour of Jörn Manz)

Theoretical study of anharmonic vibrational spectra of HNO 3, HNO 3–H 2O, HNO 4: Fundamental, overtone and combination excitations

Reorientation dynamics of electronic orbitals in condensed phases

Combined diffusion quantum Monte Carlo–vibrational self-consistent field (DQMC–VSCF) method for excited vibrational states of large polyatomic systems

Quantum molecular dynamics by a perturbation-corrected time-dependent self-consitent-field method

Adiabatic approximation and non-adiabatic effects for open-shell atoms in an inert solvent: F atoms in solid Kr

Reorientation dynamics of electronic orbitals in condensed phases: Simulations of F( 2P) atoms in solid Kr

Evidence for a cage effect in the UV photolysis of HBr in ArHBr. Theoretical and experimental results

Relativistic effects on interactions between heavy atoms: the HgHg potential

Simulations of hydrogen diffusion on BCC metal (110) surfaces; coverage and temperature dependence

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