Explicitly correlated coupled cluster calculations for the propargyl cation (H2C3H+) and related species

On the equilibrium structures of the complexes H2C3H+·Ar and c-C3H3+·Ar: Results of explicitly correlated coupled cluster calculations

(2011) Peter Botschwina et al.   JOURNAL OF CHEMICAL PHYSICS

Calculated photoelectron spectra of isotopomers of the propargyl radical (H2C3H): An explicitly correlated coupled cluster study

(2010) Peter Botschwina et al.   CHEMICAL PHYSICS

Communications: Infrared spectroscopy of gas phase C3H3+ ions: The cyclopropenyl and propargyl cations

(2010) Allen M. Ricks et al.   JOURNAL OF CHEMICAL PHYSICS

Explicitly Correlated Coupled Cluster Calculations for Propadienylidene (H2CCC)†

(2010) Peter Botschwina et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Threshold Photoelectron Spectroscopy of the Methyl Radical Isotopomers, CH3, CH2D, CHD2and CD3: Synergy between VUV Synchrotron Radiation Experiments and Explicitly Correlated Coupled Cluster Calculations†

(2010) Bárbara K. Cunha de Miranda et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Benchmark Studies for Explicitly Correlated Perturbation- and Coupled Cluster Theories. javascript:filterformular(´3´)

(2010) Hans-Joachim Werner et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Optimized complementary auxiliary basis sets for explicitly correlated methods: aug-cc-pVnZ orbital basis sets

(2009) Kazim E. Yousaf et al.   CHEMICAL PHYSICS LETTERS

Retraction: “The zero kinetic energy photoelectron spectra of the propargyl radical, C3H3” [J. Chem. Phys. 112, 2575 (2000)]

(2009) Peter Chen et al.   JOURNAL OF CHEMICAL PHYSICS

Toward large scale vibrational configuration interaction calculations

(2009) Michael Neff et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate calculation of vibrational frequencies using explicitly correlated coupled-cluster theory

(2009) Guntram Rauhut et al.   JOURNAL OF CHEMICAL PHYSICS

Simplified CCSD(T)-F12 methods: Theory and benchmarks

(2009) Gerald Knizia et al.   JOURNAL OF CHEMICAL PHYSICS

A combined variational and perturbational study on the vibrational spectrum of P2F4

(2008) Guntram Rauhut et al.   CHEMICAL PHYSICS

Optimized auxiliary basis sets for explicitly correlated methods

(2008) Kazim E. Yousaf et al.   JOURNAL OF CHEMICAL PHYSICS

Systematically convergent basis sets for explicitly correlated wavefunctions: The atoms H, He, B–Ne, and Al–Ar

(2008) Kirk A. Peterson et al.   JOURNAL OF CHEMICAL PHYSICS