Joint Oslo - Tromsø CTCC seminars
Since October 23 2012, joint CTCC seminars between Oslo and Tromsø are held every Friday at 2:15. The seminars alternate between the two CTCC nodes and are broadcasted by video to the other node.
Title: The activation of amide carbonyls towards nucleophilic attack – mechanisms and synthetic applications
Artur Ulikowski is visiting from Warsaw. Abstract below.
Title: Approximative Kohn-Sham Response Theory: using Density-fitting and the Auxiliary-Density-Matrix Method
Quantum chemistry of crystalline solids using a local basis set: the CRYSTAL and CRYSCOR codes
Two Studies of Free Energy in Small Molecule Pharmaceuticals: Polymorph Stability Prediction and Covalent Binding of a Paracetamol Derivative to Human Serum Albumin
A priori Wannier orbitals: what works and what doesn't
A bird's-eye view of solids and band structures
Multilevel CC theory and X-ray spectroscopy
PCMSolver: An Application Programming Interface for the Polarizable Continuum Model
Mechanism of the reaction of nucleophiles with aromatic nitrocompounds - a mass spectrometry and theoretical study
Two short stories on relativistic effects in chemistry
Computational characterisation of the mechanism of the reaction between Fe(I) complexes and aryl halides
Analyses and characterization of painting cross-sections in Scandinavian medieval altarpieces
OpenRSP, Its Friends and Their Future (Personal Thinking)“. Here is a short description
Challenging TD-DFT in Catalyst Design Aimed at Water Oxidation and Carbon Dioxide Reduction
Recent results calculated with MCTDHF
A new quantum number for the many-electron Dirac–Coulomb Hamiltonian
Self Assembly of carbon nanotubes in polymer composites: structural and electrical behaviour at nano and mesoscale
Olga Malkina: "Is there anything interesting about the DSO contribution to NMR spin-spin couplings?"
Vladimir Malkin: " Calculations of the EPR g-tensor in the framework of two- and four-component HF and DFT approaches"
The Force Awakens: Evolution of the gold standard in quantum chemistry, coupled-cluster theory and its applications
Ion Trap Reactors to the Rescue: A Tool to Solve Problems in Organic and Organometallic Chemistry
Quantum Dynamics of Laser-Molecule Interactions
Ghost interaction correction in ensemble density functional theory for excited states with and without range-separation
Ola Solli Grønningsæter Chris Andre Reierth, and Sveinar Hammer: Teknologi- og forskningslære-prosjekt 2015/16, a presentation by high-school students participating in public outreach by Heike Fliegl
Raphael Peltzer: Studying alpha-tocopherol transfer protein oligomerisation using Hamiltonian Replica Exchange
OpenRSP: Recent developments and applications
Sigbjørn Løland Bore: Coarse graining of protein backbone
Glenn B.S. Miller: Reactivity of the Glycolate-MgCl- complex