Publication Tag Tax: gaussian-basis sets

Tris-cyclometalated Iridium(III) Complexes with Three Different Ligands: a New Example with 2-(2,4-Difluorophenyl)pyridine-Based Complex

Photochemistry of CH3Cl: Dissociation and CH center dot center dot center dot Cl Hydrogen Bond Formation

UV-photoexcitation and ultrafast dynamics of HCFC-132b (CF2ClCH2Cl)

Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods

Computation of the Isotropic Hyperfine Coupling Constant: Efficiency and Insights from a New Approach Based on Wave Function Theory

The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry

Efficient Analytic Second Derivative of Electrostatic Embedding QM/MM Energy: Normal Mode Analysis of Plant Cryptochrome

UV-visible absorption spectrum of FAD and its reduced forms embedded in a cryptochrome protein

Determination of Block Size in Poly(ethylene oxide)-b-polystyrene Block Copolymers by Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry