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Determining the Bulk Viscosity of Rigid Water Models

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-03, Vol.116 (10), p.2564-2570

2012

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Modelling interactions of alkali-cation dimers in He clusters

Journal of physics. Conference series, 2020-01, Vol.1412 (20), p.202033

2020

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Benchmarking the performance of density-functional-based approaches on intermolecular interactions of Helium-water complexes

Journal of physics. Conference series, 2017-07, Vol.875 (11), p.102026

2017

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Molecular dynamics simulations of rigid and flexible water models: Temperature dependence of viscosity

Chemical physics, 2011-09, Vol.388 (1), p.9-18

2011

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Modeling the water-halide ion interactions

Journal of physics. Conference series, 2015-09, Vol.635 (3), p.32009

2015

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Confining CO2 inside the nanocavities of the sI clathrate: a quantum dynamics study

Journal of physics. Conference series, 2015-09, Vol.635 (3)

2015

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Structural changes in water and Ar-water clusters under high pressure

Journal of physics. Conference series, 2015-09, Vol.635 (3), p.32008

2015

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A new accurate and full dimensional potential energy surface of H5(+) based on a triatomics-in-molecules analytic functional form

The Journal of chemical physics, 2010-07, Vol.133 (2), p.024306-024306

2010

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Path integral Monte Carlo studies of the H 5 + /D 5 + clusters using ab initio potential surfaces

Physica scripta, 2011-08, Vol.84 (2), p.28109

2011

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Variational and Path Integral Monte Carlo calculations on Helium Clusters Doped with Metastable Anions He - and He 2

Journal of physics. Conference series, 2015, Vol.635 (7), p.72009

2015

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Variational and Path Integral Monte Carlo calculations on Helium Clusters Doped with Metastable Anions He- and He2

Journal of physics. Conference series, 2015-09, Vol.635 (7)

2015

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Modeling the (HI)2 photodissociation dynamics through a nonadiabatic wave packet study of the I-HI complex

The Journal of chemical physics, 2007-11, Vol.127 (18), p.184307-184307

2007

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Effect of the Excitation Energy on the (HI)2 Nonadiabatic Photodissociation Dynamics

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-04, Vol.112 (13), p.2762-2772

2008

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Nonadiabatic photodissociation dynamics in (HI)2 induced by intracluster collisions

The Journal of chemical physics, 2007-04, Vol.126 (16), p.161102-161102

2007

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Direct Path-Integral Monte-Carlo simulations of H + 5 /D + 5 clusters: thermal equilibrium state properties

Journal of physics. Conference series, 2012-11, Vol.388 (12), p.122001

2012

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A new accurate and full dimensional potential energy surface of H 5 + based on a triatomics-in-molecules analytic functional form

The Journal of chemical physics, 2010-07, Vol.133 (2), p.024306-024306-15

2010

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Wave packet study of the Ar–HBr photolysis: Stereodynamical effects

The Journal of chemical physics, 2003-05, Vol.118 (18), p.8268-8274

2003

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Stereodynamics and control effects in the ultraviolet photolysis of Ar–HBr

The Journal of chemical physics, 2002-07, Vol.117 (1), p.100-109

2002

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Spectral simulations of polar diatomic molecules immersed in He clusters: application to the ICl (X) molecule

Physica scripta, 2007-09, Vol.76 (3), p.C96-C103

2007

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Selective control of the photolysis reaction in the Ar–HX (X = F, Cl, Br) clusters through the initial distribution of intracluster orientations

Chemical physics letters, 2002-12, Vol.366 (3), p.238-244

2002

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Photodissociation Quantum Dynamics of the Ar−HF(v = 0) Cluster

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-07, Vol.107 (28), p.5397-5403

2003

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Effect of the initial excitation of the intermolecular stretching mode in Ar-HBr photolysis

Molecular physics, 2004-11, Vol.102 (21-22), p.2269-2276

2004

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Confining CO 2 inside the nanocavities of the sI clathrate: a quantum dynamics study

Journal of physics. Conference series, 2015-09, Vol.635 (3), p.32010

2015

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auto_deriv: Tool for automatic differentiation of a fortran code

Computer physics communications, 2000-05, Vol.127 (2), p.343-355

2000

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Periodic orbits, bifurcation diagrams and the spectroscopy of C2H2 system

The Journal of chemical physics, 1995-09, Vol.103 (9), p.3299-3314

1995

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Determining the Bulk Viscosity of Rigid Water Models

Modelling interactions of alkali-cation dimers in He clusters

Benchmarking the performance of density-functional-based approaches on intermolecular interactions of Helium-water complexes

Molecular dynamics simulations of rigid and flexible water models: Temperature dependence of viscosity

Modeling the water-halide ion interactions

Confining CO2 inside the nanocavities of the sI clathrate: a quantum dynamics study

Structural changes in water and Ar-water clusters under high pressure

A new accurate and full dimensional potential energy surface of H5(+) based on a triatomics-in-molecules analytic functional form

Path integral Monte Carlo studies of the H 5 + /D 5 + clusters using ab initio potential surfaces

Variational and Path Integral Monte Carlo calculations on Helium Clusters Doped with Metastable Anions He - and He 2

Variational and Path Integral Monte Carlo calculations on Helium Clusters Doped with Metastable Anions He- and He2

Modeling the (HI)2 photodissociation dynamics through a nonadiabatic wave packet study of the I-HI complex

Effect of the Excitation Energy on the (HI)2 Nonadiabatic Photodissociation Dynamics

Nonadiabatic photodissociation dynamics in (HI)2 induced by intracluster collisions

Direct Path-Integral Monte-Carlo simulations of H + 5 /D + 5 clusters: thermal equilibrium state properties

A new accurate and full dimensional potential energy surface of H 5 + based on a triatomics-in-molecules analytic functional form

Wave packet study of the Ar–HBr photolysis: Stereodynamical effects

Stereodynamics and control effects in the ultraviolet photolysis of Ar–HBr

Spectral simulations of polar diatomic molecules immersed in He clusters: application to the ICl (X) molecule

Selective control of the photolysis reaction in the Ar–HX (X = F, Cl, Br) clusters through the initial distribution of intracluster orientations

Photodissociation Quantum Dynamics of the Ar−HF(v = 0) Cluster

Effect of the initial excitation of the intermolecular stretching mode in Ar-HBr photolysis

Confining CO 2 inside the nanocavities of the sI clathrate: a quantum dynamics study

auto_deriv: Tool for automatic differentiation of a fortran code

Periodic orbits, bifurcation diagrams and the spectroscopy of C2H2 system

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