J. Vázquez

发表

High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overview.

Branko Ruscic, Juana Vázquez, Jürgen Gauss, 2008, The Journal of chemical physics.

Intermolecular charge transfer and hydrogen bonding in solid furan.

G. Kearley, A. Navarro, J. J. López-González, 2004, Journal of the American Chemical Society.

Ab initio structural analysis of furylimidazoles

J. E. Boggs, J. J. González, J. Vázquez, 1997 .

High-accuracy extrapolated ab initio thermochemistry of the propargyl radical and the singlet C(3)H(2) carbenes.

J. Gauss, J. Stanton, M. Harding, 2009, The journal of physical chemistry. A.

HEAT: High accuracy extrapolated ab initio thermochemistry.

Juana Vázquez, Jürgen Gauss, Attila Tajti, 2004, The Journal of chemical physics.

Treatment of Fermi resonance effects on transition moments in vibrational perturbation theory

J. Stanton, J. Vázquez, 2007 .

Simple(r) algebraic equation for transition moments of fundamental transitions in vibrational second-order perturbation theory

J. Stanton, J. Vázquez, 2006 .

Calculated stretching overtone levels and Darling–Dennison resonances in water: a triumph of simple theoretical approaches

D. Matthews, J. Stanton, J. Vázquez, 2007 .

High-resolution spectroscopy of C3 around 3 μm.

P. Jensen, S. Schlemmer, C. Endres, 2013, The journal of physical chemistry. A.

Towards highly accurate ab initio thermochemistry of larger systems: benzene.

Mihály Kállay, J. Gauss, J. Stanton, 2011, The Journal of chemical physics.

Vibrational Energy Levels via Finite-Basis Calculations Using a Quasi-Analytic Form of the Kinetic Energy.

J. Gauss, J. Stanton, M. Harding, 2011, Journal of chemical theory and computation.

High-accuracy extrapolated ab initio thermochemistry. II. Minor improvements to the protocol and a vital simplification.

Juana Vázquez, Jürgen Gauss, Mihály Kállay, 2006, The Journal of chemical physics.

The hyperfine structure in the rotational spectra of D2(17)O and HD(17)O: Confirmation of the absolute nuclear magnetic shielding scale for oxygen.

J. Gauss, C. Puzzarini, M. Harding, 2015, The Journal of chemical physics.

High-resolution OPO spectroscopy of Si2C3 at 5 μm: Observation of hot band transitions associated with ν3

S. Schlemmer, T. Giesen, J. Krieg, 2011 .

A new experimental absolute nuclear magnetic shielding scale for oxygen based on the rotational hyperfine structure of H(2)(17)O.

J. Gauss, C. Puzzarini, M. Harding, 2009, The Journal of chemical physics.

Infrared overtone spectroscopy and vibrational analysis of a Fermi resonance in nitric acid: Experiment and theory.

Ian M. Konen, Eunice X. J. Li, J. Stanton, 2006, The Journal of chemical physics.

Triplet instability in doublet systems.

J. Stanton, C. Simmons, P. Szalay, 2004, The Journal of chemical physics.

Experimental and ab Initio Equilibrium Structure and Harmonic Force Field of 1,2,5-Oxadiazole.

J. E. Boggs, J. Demaison, J. J. López-González, 2001, Journal of molecular spectroscopy.

Semiexperimental Equilibrium Structures: Computational Aspects

J. Stanton, J. Vázquez, 2011 .

Dissociation energy of the HOOO radical.

J. Gauss, J. Stanton, M. Harding, 2009, The journal of physical chemistry. A.

THE ROTATIONAL SPECTRUM OF HDO: ACCURATE SPECTROSCOPIC AND HYPERFINE PARAMETERS

Juana Vázquez, Michael E. Harding, Jürgen Gauss, 2014 .

Vibrational spectrum of pyridazine

J. E. Boggs, J. Vázquez, F. Márquez, 1998 .