List of works - Miguel Carvajal

A theoretical-spectroscopy, ab initio-based study of the electronic ground state of 121SbH3

article published in 2010

Ab initio dipole moment and theoretical rovibrational intensities in the electronic ground state of PH3

article

Ab initio potential energy surface, electric-dipole moment, polarizability tensor, and theoretical rovibrational spectra in the electronic ground state of

Ab initio spectroscopic characterization of the radical CH3OCH2 at low temperatures

scientific article published on 01 May 2019

CCSD(T) study of CD3-O-CD3 and CH3-O-CD3 far-infrared spectra

scientific article published on 08 June 2012

CCSD(T) study of dimethyl-ether infrared and Raman spectra

scientific article published on 01 November 2011

Comparison between phase space structures in coupled Morse systems and in various su(2) approximations

scientific article published on 01 September 2001

Dipole moment and rovibrational intensities in the electronic ground state of NH3: bridging the gap between ab initio theory and spectroscopic experiment

scientific article published in March 2005

Highly correlated ab initio study of the far infrared spectra of methyl acetate.

scientific article published in January 2013

Highly correlated ab initio study of the low frequency modes of propane and various monosubstituted isotopologues containing D and 13C.

scientific article published on 22 April 2013

PH3 revisited: Theoretical transition moments for the vibrational transitions below

article

Rotation–Vibration Motion of Pyramidal XY3 Molecules Described in the Eckart Frame: The Calculation of Intensities with Application to NH3

article

Rotation–vibration motion of pyramidal XY3molecules described in the Eckart frame: Theory and application to NH3

article

Simulation of the Raman spectra of CO₂: bridging the gap between algebraic models and experimental spectra

scientific article published on 01 August 2014

Spectroscopy and Dynamics of Medium-Sized Molecules and Clusters: Theory, Experiment, and Applications

scientific article published on 01 February 2016

Theoretical spectroscopic characterization at low temperatures of S-methyl thioformate and O-methyl thioformate

scientific article

Theoretical spectroscopic characterization at low temperatures of detectable sulfur-organic compounds: ethyl mercaptan and dimethyl sulfide.

scientific article published in March 2014

Vibrational energies for NH3 based on high level ab initio potential energy surfaces

article

Vibrational energies of PH3 calculated variationally at the complete basis set limit

article

[In Process Citation]

scientific article published on 14 December 2015

List of works by Miguel Carvajal

A theoretical-spectroscopy, ab initio-based study of the electronic ground state of 121SbH3

Ab initio dipole moment and theoretical rovibrational intensities in the electronic ground state of PH3

Ab initio potential energy surface, electric-dipole moment, polarizability tensor, and theoretical rovibrational spectra in the electronic ground state of

Ab initio spectroscopic characterization of the radical CH3OCH2 at low temperatures

CCSD(T) study of CD3-O-CD3 and CH3-O-CD3 far-infrared spectra

CCSD(T) study of dimethyl-ether infrared and Raman spectra

Comparison between phase space structures in coupled Morse systems and in various su(2) approximations

Dipole moment and rovibrational intensities in the electronic ground state of NH3: bridging the gap between ab initio theory and spectroscopic experiment

Highly correlated ab initio study of the far infrared spectra of methyl acetate.

Highly correlated ab initio study of the low frequency modes of propane and various monosubstituted isotopologues containing D and 13C.

PH3 revisited: Theoretical transition moments for the vibrational transitions below

Rotation–Vibration Motion of Pyramidal XY3 Molecules Described in the Eckart Frame: The Calculation of Intensities with Application to NH3

Rotation–vibration motion of pyramidal XY3molecules described in the Eckart frame: Theory and application to NH3

Simulation of the Raman spectra of CO₂: bridging the gap between algebraic models and experimental spectra

Spectroscopy and Dynamics of Medium-Sized Molecules and Clusters: Theory, Experiment, and Applications

Theoretical spectroscopic characterization at low temperatures of S-methyl thioformate and O-methyl thioformate

Theoretical spectroscopic characterization at low temperatures of detectable sulfur-organic compounds: ethyl mercaptan and dimethyl sulfide.

Vibrational energies for NH3 based on high level ab initio potential energy surfaces

Vibrational energies of PH3 calculated variationally at the complete basis set limit

[In Process Citation]