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Publications by S.P.J. Rodrigues

A Realistic Double Many-Body Expansion Potential Energy Surface for From a Multiproperty Fit to Accurate Ab Initio Energies and Vibrational Levels

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Instrumentation

Analytical Chemistry

Molecular Physics,

English

Related publications

FITTING: A Portal to Fit Potential Energy Functionals to Ab Initio Points

Lecture Notes in Computer Science

Computer Science

Theoretical Computer Science

English

Ab Initio Prediction of the Potential Energy Surface and Vibration-Rotation Energy Levels of BeH2

Journal of Chemical Physics

Theoretical Chemistry

English

An Accurate Global Ab Initio Potential Energy Surface for the X 1A′ Electronic State of HOBr

Journal of Chemical Physics

Theoretical Chemistry

English

The Utility of Many-Body Decompositions for the Accurate Basis Set Extrapolation of Ab Initio Data

Journal of Chemical Physics

Theoretical Chemistry

English

A Theoretical Study of Ozone Isotopic Effects Using a Modified Ab Initio Potential Energy Surface

Journal of Chemical Physics

Theoretical Chemistry

English

Ab Initio Potential Energy Surface of CH+2 and Reaction Dynamics of H + CH+

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

An Ab Initio Study of Potential Energy Surfaces for N8Isomers

Journal of Physical Chemistry A

Theoretical Chemistry

English

How Does One Extract Many-Body Interatomic Potentials From Ab-Initio Band Structure Calculations

Condensed Matter Physics

Condensed Matter Physics

English

High Accuracy Ab Initio Calculations of Rotational-Vibrational Levels of the HCN/HNC System

Journal of Physical Chemistry A

Theoretical Chemistry

English