Direct reaction field force field: A consistent way to connect and combine quantum-chemical and classical descriptions of molecules
- 1 January 1996
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 60 (6) , 1111-1132
- https://doi.org/10.1002/(sici)1097-461x(1996)60:6<1111::aid-qua2>3.0.co;2-2
Abstract
No abstract availableThis publication has 100 references indexed in Scilit:
- Effective potentials for spectator groups in molecular systems I. Potential curves and binding energiesTheoretical Chemistry Accounts, 1993
- Intermolecular Raman bands in the ground state of benzene dimerThe Journal of Chemical Physics, 1993
- π-π interactions: the geometry and energetics of phenylalanine-phenylalanine interactions in proteinsJournal of Molecular Biology, 1991
- Molecular electric properties in electronic excited states: multipole moments and polarizabilities of H2O in the lowest1 B 1 and3 B 1 excited statesTheoretical Chemistry Accounts, 1991
- A NEW INTERMOLECULAR ENERGY CALCULATION SCHEME - APPLICATIONS TO POTENTIAL SURFACE AND LIQUID PROPERTIES OF WATERThe Journal of Physical Chemistry, 1990
- The active site of papainJournal of Molecular Biology, 1989
- A polarizable water model for calculation of hydration energiesMolecular Physics, 1988
- Analysis of discrete and continuum dielectric models; application to the calculation of protonation energies in solutionMolecular Physics, 1987
- Comparison of simple potential functions for simulating liquid waterThe Journal of Chemical Physics, 1983
- CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsJournal of Computational Chemistry, 1983