Foundations and recent developments on molecular quantum similarity
- 1 January 1995
- book chapter
- Published by Springer Nature
Abstract
No abstract availableKeywords
This publication has 103 references indexed in Scilit:
- Highly vibrationally excited HCN/HNC: Eigenvalues, wave functions, and stimulated emission pumping spectraThe Journal of Chemical Physics, 1993
- Proton transfer in the water dimer catalyzed by doubly charged cations (Zn+2, Be+2, and Mg+2)Theoretical Chemistry Accounts, 1992
- Gradient optimization of polarization exponents inab initio MO calculations on H2SO ? HSOH and CH3SH ? CH2SH2Theoretical Chemistry Accounts, 1990
- Molsimil - 88: Molecular similarity calculations using a CNDO-like approximationComputer Physics Communications, 1989
- Paramagnetic carbon-13 NMR relaxation studies on the kinetics and mechanism of the bicarbonate ion/carbon dioxide exchange catalyzed by manganese(II) human carbonic anhydrase IBiochemistry, 1987
- Reaction path Hamiltonian: Tunneling effects in the unimolecular isomerization HNC→HCNThe Journal of Chemical Physics, 1980
- A theoretical relation for the position of the energy barrier between initial and final states of chemical reactionsJournal of the American Chemical Society, 1978
- Activation Energies from Bond Energies. I. Hydrogen Transfer ReactionsJournal of the American Chemical Society, 1963
- The Kinetics of the Reaction of Human Erythrocyte Carbonic Anhydrase. II. The Effect of Sulfanilamide, Sodium Sulfide and Various Chelating AgentsJournal of the American Chemical Society, 1959
- A Correlation of Reaction RatesJournal of the American Chemical Society, 1955