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Calculation and selective population of vibrational levels with the Multiconfiguration Time-Dependent Hartree (MCTDH) algorithm

Chemical physics, 2006-10, Vol.329 (1), p.179-192

2006

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Ab initio study of the low-lying electronic states of the CaO molecule

Chemical physics, 2011-07, Vol.386 (1), p.50-55

2011

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Oxidation of Silver Cyanide Ag(CN)2 – by the OH Radical: From Ab Initio Calculation to Molecular Simulation and to Experiment

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-12, Vol.124 (51), p.10787-10798

2020

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Theoretical Investigations on CaO Ions: Vibronic States and Photoelectron Spectroscopy

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-11, Vol.117 (44), p.11254-11260

2013

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Generation of semiclassical and delocalized vibrational wave packet motion of HF molecules oriented in an external static electric field

The Journal of chemical physics, 2002-02, Vol.116 (8), p.3300-3308

2002

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Theoretical study of the predissociation of the A2Π state of ZnF including quasi-diabatisation of the spin-orbit coupling

The Journal of chemical physics, 2012-10, Vol.137 (16), p.164318-164318

2012

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Rotational and vibrational wave packet motion during the infrared multiphoton excitation of HF

The Journal of chemical physics, 2001-01, Vol.114 (2), p.826-835

2001

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Quantum exact three-dimensional study of the photodissociation of the ozone molecule

The Journal of chemical physics, 1990, Vol.92 (1), p.247-253

1990

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Full-dimensional quantum dynamics of vibrationally highly excited NHD 2

The Journal of chemical physics, 2010-11, Vol.133 (17), p.174302-174302-18

2010

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Theoretical Study of the Rovibronic States of CaO

Journal of molecular spectroscopy, 2012, Vol.271 (1), p.1-9

2012

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Ab initio investigations on the CaO2+ dication

Computational and theoretical chemistry, 2015-01, Vol.1052, p.1-5

2015

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Time-dependent wave packet study on trans-cis isomerization of HONO driven by an external field

The Journal of chemical physics, 2007-10, Vol.127 (16), p.164315-164315

2007

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Full-dimensional quantum dynamics of vibrationally highly excited NHD2

The Journal of chemical physics, 2010-11, Vol.133 (17), p.174302-174302

2010

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Time-dependent wave packet study on trans-cis isomerizationof HONO driven by an external field

The Journal of chemical physics, 2007-10, Vol.127 (16), p.164315-164315-14

2007

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Ab initio study of the spin-orbit coupling between the A and b3 Π u electronic states of Na2

Molecular physics, 2007-05, Vol.105 (9), p.1095-1104

2007

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A theoretical spectroscopic study of HeI and HeBr

Physical chemistry chemical physics : PCCP, 2005-04, Vol.7 (8), p.1694-1699

2005

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Effect of rotations on the generation of coherent internal molecular motion

International journal of quantum chemistry, 2004-09, Vol.99 (4), p.439-451

2004

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Three dimensional quantum calculation of the visible absorption spectrum of Ar+3

The Journal of chemical physics, 1995-05, Vol.102 (20), p.7830-7837

1995

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Selective vibrational excitations in the OX (X = F, Cl, Br, I) molecules

Physical chemistry chemical physics : PCCP, 2000-01, Vol.2 (6), p.1117-1122

2000

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Spin-dependent and Coriolis interactions by an improved configuration interaction treatment: predissociation of excited fine structure levels of OH/OD

Molecular physics, 2000-11, Vol.98 (21), p.1713-1727

2000

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Quantum dynamics of van der Waals clusters : model results for He2Cl2 and Ne2Cl2 fragmentation

The Journal of chemical physics, 1993-04, Vol.98 (7), p.5396-5407

1993

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New ab initio potential surfaces and three-dimensional quantum dynamics for transition state spectroscopy in ozone photodissociation

Chemical physics letters, 1992-04, Vol.191 (6), p.515-520

1992

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Ab initio study of the spin-orbit coupling between the A1Σ +u and b 3Πu electronic states of Na2

Molecular physics, 2007-09, Vol.105 (9), p.1095-1104

2007

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Spin-dependent and Coriolis interactions by an improved configuration interaction treatment: predissociation of excited fine structure levels of OH/OD

Molecular physics, 2000-11, Vol.98 (21), p.1713-1727

Pilar De Lara Castells, Alexander M, Maria

2000

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Gridded fossil CO2 emissions and related O2 combustion consistent with national inventories 1959–2018

Scientific data, 2021-01, Vol.8 (1), p.1-23, Article 2

2021

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Calculation and selective population of vibrational levels with the Multiconfiguration Time-Dependent Hartree (MCTDH) algorithm

Ab initio study of the low-lying electronic states of the CaO molecule

Oxidation of Silver Cyanide Ag(CN)2 – by the OH Radical: From Ab Initio Calculation to Molecular Simulation and to Experiment

Theoretical Investigations on CaO Ions: Vibronic States and Photoelectron Spectroscopy

Generation of semiclassical and delocalized vibrational wave packet motion of HF molecules oriented in an external static electric field

Theoretical study of the predissociation of the A2Π state of ZnF including quasi-diabatisation of the spin-orbit coupling

Rotational and vibrational wave packet motion during the infrared multiphoton excitation of HF

Quantum exact three-dimensional study of the photodissociation of the ozone molecule

Full-dimensional quantum dynamics of vibrationally highly excited NHD 2

Theoretical Study of the Rovibronic States of CaO

Ab initio investigations on the CaO2+ dication

Time-dependent wave packet study on trans-cis isomerization of HONO driven by an external field

Full-dimensional quantum dynamics of vibrationally highly excited NHD2

Time-dependent wave packet study on trans-cis isomerizationof HONO driven by an external field

Ab initio study of the spin-orbit coupling between the A and b3 Π u electronic states of Na2

A theoretical spectroscopic study of HeI and HeBr

Effect of rotations on the generation of coherent internal molecular motion

Three dimensional quantum calculation of the visible absorption spectrum of Ar+3

Selective vibrational excitations in the OX (X = F, Cl, Br, I) molecules

Spin-dependent and Coriolis interactions by an improved configuration interaction treatment: predissociation of excited fine structure levels of OH/OD

Quantum dynamics of van der Waals clusters : model results for He2Cl2 and Ne2Cl2 fragmentation

New ab initio potential surfaces and three-dimensional quantum dynamics for transition state spectroscopy in ozone photodissociation

Ab initio study of the spin-orbit coupling between the A1Σ +u and b 3Πu electronic states of Na2

Spin-dependent and Coriolis interactions by an improved configuration interaction treatment: predissociation of excited fine structure levels of OH/OD

Gridded fossil CO2 emissions and related O2 combustion consistent with national inventories 1959–2018

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