2016

 

Joint Oslo - Tromsø CTCC seminars 2016

http://wiki.ctcc.no/doku.php?id=public:joint_seminars_spring16

 

Previous

Time and place: Dec. 8, 2016 3:15 PM, V205, Kjemibygningen

Two Studies of Free Energy in Small Molecule Pharmaceuticals: Polymorph Stability Prediction and Covalent Binding of a Paracetamol Derivative to Human Serum Albumin 

Time and place: Nov. 25, 2016 2:15 PM, V205, Kjemibygningen

A priori Wannier orbitals: what works and what doesn't

Time and place: Nov. 18, 2016 2:15 PM, ROOM #1.441 Teorifagbygget

A bird's-eye view of solids and band structures

Time and place: Nov. 11, 2016 2:15 PM, V205, Kjemibygningen

Multilevel CC theory and X-ray spectroscopy

Time and place: Nov. 4, 2016 2:15 PM, ROOM #1.441 Teorifagbygget

PCMSolver: An Application Programming Interface for the Polarizable Continuum Model

Time and place: Oct. 28, 2016 2:15 PM, V205, Kjemibygningen

Mechanism of the reaction of nucleophiles with aromatic nitrocompounds - a mass spectrometry and theoretical study

Time and place: Oct. 21, 2016 2:15 PM, ROOM #1.441 Teorifagbygget

Two short stories on relativistic effects in chemistry

Time and place: Oct. 14, 2016 2:15 PM, V205, Kjemibygningen

Computational characterisation of the mechanism of the reaction between Fe(I) complexes and aryl halides

Time and place: Oct. 7, 2016 2:15 PM, V205, Kjemibygningen

Analyses and characterization of painting cross-sections in Scandinavian medieval altarpieces

Time and place: Sep. 30, 2016 2:15 PM, ROOM #1.441 Teorifagbygget

OpenRSP, Its Friends and Their Future (Personal Thinking)“. Here is a short description

Time and place: Sep. 16, 2016 2:15 PM, V205, Kjemibygningen

Challenging TD-DFT in Catalyst Design Aimed at Water Oxidation and Carbon Dioxide Reduction

Time and place: Sep. 9, 2016 2:15 PM, V205, Kjemibygningen

Recent results calculated with MCTDHF

Time and place: Sep. 2, 2016 2:15 PM, ROOM #1.441 Teorifagbygget

A new quantum number for the many-electron Dirac–Coulomb Hamiltonian

Time and place: Aug. 26, 2016 2:15 PM, V205, Kjemibygningen

Self Assembly of carbon nanotubes in polymer composites: structural and electrical behaviour at nano and mesoscale

Time and place: Aug. 12, 2016 2:15 PM, ROOM #1.441 Teorifagbygget

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"

Time and place: June 24, 2016 2:15 PM, V205, Kjemibygningen

The Force Awakens: Evolution of the gold standard in quantum chemistry, coupled-cluster theory and its applications

Time and place: June 10, 2016 2:15 PM, V205, Kjemibygningen

Ion Trap Reactors to the Rescue: A Tool to Solve Problems in Organic and Organometallic Chemistry

Time and place: June 9, 2016 2:15 PM, V205, Kjemibygningen

Quantum Dynamics of Laser-Molecule Interactions

Time and place: June 3, 2016 2:15 PM, ROOM #1.441 Teorifagbygget

Ghost interaction correction in ensemble density functional theory for excited states with and without range-separation

Time and place: May 27, 2016 2:15 PM, V205, Kjemibygningen

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

Time and place: May 20, 2016 2:15 PM, ROOM #1.441 Teorifagbygget

OpenRSP: Recent developments and applications

Time and place: May 13, 2016 2:15 PM, V205, Kjemibygningen

Sigbjørn Løland Bore: Coarse graining of protein backbone

Glenn B.S. Miller: Reactivity of the Glycolate-MgCl- complex

Time and place: Apr. 29, 2016 2:15 PM, V205, Kjemibygningen

Coupled-cluster methods for periodic systems

Time and place: Apr. 22, 2016 2:15 PM, ROOM #1.441 Teorifagbygget

Synergy between experimental and computational approaches to homogeneous photoredox catalysis

Time and place: Apr. 15, 2016 2:15 PM, V205, Kjemibygningen

Excitation energies in time-independent range-separated DFT