共 50 条
- [1] Analytical second derivatives of the free energy in solution by polarizable continuum models JOURNAL OF CHEMICAL PHYSICS, 1998, 109 (15): : 6246 - 6254
- [2] On the calculation of infrared intensities in solution within the polarizable continuum model JOURNAL OF PHYSICAL CHEMISTRY A, 2000, 104 (44): : 9874 - 9879
- [3] Nuclear magnetic shieldings in solution: Gauge invariant atomic orbital calculation using the polarizable continuum model JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (16): : 7627 - 7638
- [4] Theoretical approach to the calculation of vibrational Raman spectra in solution within the polarizable continuum model JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (36): : 8310 - 8316
- [5] Self-consistent-field calculation of Pauli repulsion and dispersion contributions to the solvation free energy in the polarizable continuum model JOURNAL OF PHYSICAL CHEMISTRY B, 1997, 101 (06): : 1051 - 1057
- [6] THE EXTENDED POLARIZABLE CONTINUUM MODEL FOR CALCULATION OF SOLVENT EFFECTS JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1988, 48 : 353 - 366
- [8] On analytical derivatives for geometry optimization in the polarizable continuum model Journal of Mathematical Chemistry, 2011, 49 : 1928 - 1936