Carolina Oliva
Universitat de Barcelona(ES)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Spectroscopy and Laser Applications, Atmospheric Ozone and Climate, Hepatitis C virus research, Spectroscopy and Quantum Chemical Studies
Most-Cited Works
- → New analytical (2A′,4A′) surfaces and theoretical rate constants for the N(4S)+O2 reaction(2002)62 cited
- → Comparison of Different Quantum Mechanical/Molecular Mechanics Boundary Treatments in the Reaction of the Hepatitis C Virus NS3 Protease with the NS5A/5B Substrate(2007)36 cited
- → A density functional theory study of HCN hydrogenation to methylamine on Ni(111)(2006)33 cited
- → A theoretical approach to the O(1D)+H2O(X 1A1) reaction: Ab initio potential energy surface and quasiclassical trajectory dynamics study(2000)30 cited
- → Quantum dynamics of the N(4S)+O2 reaction on the X 2A′ and a 4A′ surfaces: Reaction probabilities, cross sections, rate constants, and product distributions(2002)28 cited
- → The lowest doublet and quartet potential energy surfaces involved in the N(4S)+O2 reaction. I. Ab initio study of the Cs-symmetry (2A′, 4A′) abstraction and insertion mechanisms(2001)23 cited
- → The lowest doublet and quartet potential energy surfaces involved in the N(4S)+O2 reaction. II. Ab initio study of the C2v-symmetry insertion mechanism(2002)20 cited
- → Wave packet dynamics of the N(4S)+O2(X 3Σg−)→NO(X 2Π)+O(3P) reaction on the X 2A′ potential energy surface(2001)18 cited
- → Ab initio CASPT2//CASSCF study of the O(1D)+H2O(X 1A1) reaction(2001)17 cited
- → A comparative QM/MM study of the reaction mechanism of the Hepatitis C virus NS3/NS4A protease with the three main natural substrates NS5A/5B, NS4B/5A and NS4A/4B(2010)13 cited