Font Size:
a
A
A
Keyword [Basis sets]
Result: 1 - 7 | Page: 1 of 1
1.
Computational Quantum Chemical Investigation On Heterospin System Consisting Of Metal(â…¡) Ion And Aminoxyl Radicals By Using Broken Symmetry Approach And Density Functional Theory
2.
Reparameterization And Auxiliary Basis Sets For Improving B3LYP Accuracy
3.
Quantum mechanical analysis of donor-acceptor interactions in organometallic complexes and comparative analysis of class size and teacher experience on student experience satisfaction and learning
4.
Hydrogen -bonded fluids studied by theoretical calculations and NMR experiments: Formamide and formic acid
5.
Ab initio study of cluster molecules relevant to materials science and astrophysics: Development of combined bond-polarization basis sets for the accurate ab initio calculation of dissociation energies
6.
Molecular orbital, generalized valence bond, and complete active space calculations on transition metal compounds with agostic hydrogen and bridging carbonyls: New basis sets, geometry of trichloromethyltitanium, and bonding of bis(cyclopentadienyldicarbo
7.
Dispersion Basis Sets For Accurate Calculations Of Intermolecular Interactions
<<First
<Prev Next>
Last>>
Jump to
