Related references
Note: Only part of the references are listed.The aug-cc-pVTZ-J basis set for the p-block fourth-row elements Ga, Ge, As, Se, and Br
Casper Steinmann et al.
MAGNETIC RESONANCE IN CHEMISTRY (2021)
Prediction of the standard potentials for one-electron oxidation of N,N,N ',N ' tetrasubstituted p-phenylenediamines by calculation
Cecilie L. Andersen et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)
Coupled-cluster techniques for computational chemistry: The CFOUR program package
Devin A. Matthews et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Proton-Coupled Electron Transfer in Artificial Photosynthetic Systems
S. Jimena Mora et al.
ACCOUNTS OF CHEMICAL RESEARCH (2018)
Development of polarization consistent basis sets for spin-spin coupling constant calculations for the atoms Li, Be, Na, and Mg
Patrick A. Aggelund et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Validating and Analyzing EPR Hyperfine Coupling Constants with Density Functional Theory
Erik D. Hedegard et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Optimized Basis Sets for Calculation of Electron Paramagnetic Resonance Hyperfine Coupling Constants: aug-cc-pVTZ-J for the 3d Atoms Sc-Zn
Erik Donovan Hedegard et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Pople Style Basis Sets for the Calculation of NMR Spin-Spin Coupling Constants: the 6-31G-J and 6-311G-J Basis Sets
Hanna Kjaer et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Making solar fuels by artificial photosynthesis
Wenjing Song et al.
PURE AND APPLIED CHEMISTRY (2011)
Optimized basis sets for the calculation of indirect nuclear spin-spin coupling constants involving the atoms B, Al, Si, P, and Cl
Patricio F. Provasi et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
The optimum contraction of basis sets for calculating spin-spin coupling constants
Frank Jensen
THEORETICAL CHEMISTRY ACCOUNTS (2010)
Artificial photoactive proteins
Reza Razeghifard
PHOTOSYNTHESIS RESEARCH (2008)
Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections
Jeng-Da Chai et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Critical assessment of the performance of density functional methods for several atomic and molecular properties
Kevin E. Riley et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)
Conjugated polymer-based organic solar cells
Serap Guenes et al.
CHEMICAL REVIEWS (2007)
ESR and ENDOR investigations on various Wurster's radical cations in solution.: Experimental results, theoretical ab initio, and DFT calculations
G Grampp et al.
MONATSHEFTE FUR CHEMIE (2005)
Materials for organic solar cells: the C-60/pi-conjugated oligomer approach
JL Segura et al.
CHEMICAL SOCIETY REVIEWS (2005)
Electron delocalization in one-electron oxidized aniline oligomers, paradigms for polyaniline. A study by paramagnetic resonance in fluid solution
B Grossmann et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Interplay of electronic, environmental, and vibrational effects in determining the hyperfine coupling constants of organic free radicals
R Improta et al.
CHEMICAL REVIEWS (2004)
Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes
VN Staroverov et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Climbing the density functional ladder: Nonempirical meta-generalized gradient approximation designed for molecules and solids
JM Tao et al.
PHYSICAL REVIEW LETTERS (2003)
The effect of lone pairs and electronegativity on the indirect nuclear spin-spin coupling constants in CH2X (X=CH2, NH, O, S):: Ab initio calculations using optimized contracted basis sets
PF Provasi et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
In situ EPR and UV-vis spectroelectrochemistry of hole-transporting organic substrates
P Rapta et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2000)