Coupled cluster, B2PLYP and M06-2X investigation of the thermochemistry of five-membered nitrogen containing heterocycles, furan, and thiophene

Theoretical characterisation of the SSO, cyclic SOS and SOS isomers

(2010) Pablo A. Denis   MOLECULAR PHYSICS

Theoretical investigation of ionized HSO and SOH

(2010) Pablo A. Denis   MOLECULAR PHYSICS

The Thermodynamics of the Elusive HO3 Radical

(2010) S. D. Le Picard et al.   SCIENCE

On the enthalpy of formation of thiophene

(2010) Pablo A. Denis   THEORETICAL CHEMISTRY ACCOUNTS

Calorimetric study of methyl and ethyl 2-thiophenecarboxylates and ethyl 2- and 3-thiopheneacetates

(2009) Manuel A.V. Ribeiro da Silva et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

Experimental thermochemical study of 3-acetyl-2-methyl-5-phenylthiophene

(2009) Manuel A.V. Ribeiro da Silva et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

An ab initio calculation of the vibrational energies and transition moments of HSOH

(2009) Sergei N. Yurchenko et al.   JOURNAL OF MOLECULAR SPECTROSCOPY

The rotational gas-phase spectrum of trans- and cis-HSSOH at 100GHz

(2009) Monika Koerber et al.   JOURNAL OF MOLECULAR SPECTROSCOPY

Thermochemistry of Bithiophenes and Thienyl Radicals. A Calorimetric and Computational Study

(2009) Manuel A. V. Ribeiro da Silva et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Photodissociation Imaging of Diatomic Sulfur (S2)†

(2009) Pim W. J. M. Frederix et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Dissociation Energy of the HOOO Radical

(2009) Mychel E. Varner et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Energetics of some sulphur heterocycles

(2009) M. A. V. Ribeiro da Silva et al.   JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

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

(2008) Michael E. Harding et al.   JOURNAL OF CHEMICAL PHYSICS

A survey of factors contributing to accurate theoretical predictions of atomization energies and molecular structures

(2008) David Feller et al.   JOURNAL OF CHEMICAL PHYSICS

Experimental study on the thermochemistry of 2,5-dimethylthiophene and its acetyl derivative

(2008) Manuel A.V. Ribeiro da Silva et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

Experimental thermochemical study of the three methyl substituted 2-acetylthiophene isomers

(2008) Manuel A.V. Ribeiro da Silva et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

Theoretical Characterization of Hydrogen Polyoxides: HOOH, HOOOH, HOOOOH, and HOOO

(2008) Pablo A. Denis et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Thermochemistry of 35 selected sulfur compounds, a comparison between experiment and theory

(2008) Pablo A. Denis   Journal of Sulfur Chemistry

Theoretical characterization of the HSOH, H2SO and H2OS isomers

(2008) Pablo Denis   MOLECULAR PHYSICS

On the vibrational spectra of HSO and SOH

(2008) Pablo A. Denis   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Standard molar enthalpies of formation and of sublimation of 2-thiophenecarboxamide and 2-thiopheneacetamide

(2007) Manuel A.V. Ribeiro da Silva et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

High-resolution infrared measurements on HSOH: Analysis of the OH fundamental vibrational mode

(2007) Oliver Baum et al.   JOURNAL OF MOLECULAR SPECTROSCOPY

Double-Hybrid Functionals for Thermochemical Kinetics

(2007) Alex Tarnopolsky et al.   JOURNAL OF PHYSICAL CHEMISTRY A