Publications by authors named "Konstantin P Novoselov"
Article Synopsis
- A new mass spectrometer was developed using a permanent magnet and an atmospheric pressure ionization source.
- The instrument achieved impressive mass resolving powers of up to 80,000 for electron ionization and 25,000 for electrospray ionization modes.
- It also showed low parts-per-million mass measurement accuracy for peptide mixtures within a mass range of up to 1200 m/z.
This article presents and overviews the CHIMERA program package, which provides a user-friendly graphical interface between quantum chemistry and chemical kinetics programs. CHIMERA facilitates calculations of rate constants for gas-phase reactions using transition state and Rice-Ramsperger-Kassel-Marcus theories. The program includes computational modules for simulation of gas-phase kinetics using simplified reactor models and for computation of chemical equilibria.
View Article and Find Full Text PDF