A combined theoretical and experimental study of the valence and Rydberg states of iodopentafluorobenzene

A combined theoretical and experimental study of the ionic states of iodopentafluorobenzene

(2017) Michael H. Palmer et al.   JOURNAL OF CHEMICAL PHYSICS

Combined theoretical and experimental study of the valence, Rydberg and ionic states of fluorobenzene

(2016) Michael H. Palmer et al.   JOURNAL OF CHEMICAL PHYSICS

Combined theoretical and experimental study of the valence, Rydberg, and ionic states of chlorobenzene

(2016) Michael H. Palmer et al.   JOURNAL OF CHEMICAL PHYSICS

Interpretation of the photoelectron, ultraviolet, and vacuum ultraviolet photoabsorption spectra of bromobenzene by ab initio configuration interaction and DFT computations

(2015) Michael H. Palmer et al.   JOURNAL OF CHEMICAL PHYSICS

The ionic states of iodobenzene studied by photoionization and ab initio configuration interaction and DFT computations

(2015) Michael H. Palmer et al.   JOURNAL OF CHEMICAL PHYSICS

Interpretation of the vacuum ultraviolet photoabsorption spectrum of iodobenzene by ab initio computations

(2015) Michael H. Palmer et al.   JOURNAL OF CHEMICAL PHYSICS

A combined resonance enhanced multiphoton ionization and ab initio study of the first absorption band of 1,2,4,5-tetrafluorobenzene, pentafluorobenzene, and hexafluorobenzene

(2014) Trevor Ridley et al.   JOURNAL OF CHEMICAL PHYSICS

Fully anharmonic IR and Raman spectra of medium-size molecular systems: accuracy and interpretation

(2013) Vincenzo Barone et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

UV photodissociation dynamics of iodobenzene: Effects of fluorination

(2012) Daniel Murdock et al.   JOURNAL OF CHEMICAL PHYSICS

rα Structures of partially oriented pentafluorobenzenes C6F5X (X = H, Cl, I) as determined from 19F NMR spectra with 13C satellites

(2011) Abir Haloui et al.   MAGNETIC RESONANCE IN CHEMISTRY

General Approach to Compute Vibrationally Resolved One-Photon Electronic Spectra

(2010) Julien Bloino et al.   Journal of Chemical Theory and Computation

Iodopentafluorobenzene: Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption and photoelectron spectroscopy

(2009) S. Eden et al.   CHEMICAL PHYSICS

Molecular Double-Bond Covalent Radii for Elements Li–E112

(2009) Pekka Pyykkö et al.   CHEMISTRY-A EUROPEAN JOURNAL

Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems

(2009) Vincenzo Barone et al.   Journal of Chemical Theory and Computation

Molecular Single-Bond Covalent Radii for Elements 1-118

(2008) Pekka Pyykkö et al.   CHEMISTRY-A EUROPEAN JOURNAL

Integrated computational approach to vibrationally resolved electronic spectra: Anisole as a test case

(2008) Julien Bloino et al.   JOURNAL OF CHEMICAL PHYSICS

Revised Basis Sets for the LANL Effective Core Potentials

(2008) Lindsay E. Roy et al.   Journal of Chemical Theory and Computation