화학공학소재연구정보센터
검색결과 : 15건
No. Article
1 Multi-coefficient correlation method: Comparison of specific-range reaction parameters to general parameters for CnHxOy compounds
Fast PL, Schultz NE, Truhlar DG
Journal of Physical Chemistry A, 105(16), 4143, 2001
2 Multilevel geometry optimization
Rodgers JM, Fast PL, Truhlar DG
Journal of Chemical Physics, 112(7), 3141, 2000
3 Thermochemical analysis of core correlation and scalar relativistic effects on molecular atomization energies
Martin JML, Sundermann A, Fast PL, Truhlar DG
Journal of Chemical Physics, 113(4), 1348, 2000
4 Infinite basis limits in electronic structure theory (vol 111, pg 2921, 1999)
Fast PL, Sanchez ML, Truhlar DG
Journal of Chemical Physics, 113(9), 3931, 2000
5 Adiabatic connection for kinetics
Lynch BJ, Fast PL, Harris M, Truhlar DG
Journal of Physical Chemistry A, 104(21), 4811, 2000
6 MC-QCISD: Multi-coefficient correlation method based on quadratic configuration interaction with single and double excitations
Fast PL, Truhlar DG
Journal of Physical Chemistry A, 104(26), 6111, 2000
7 The Gaussian-2 method with proper dissociation, improved accuracy, and less cost
Fast PL, Sanchez ML, Corchado JC, Truhlar DG
Journal of Chemical Physics, 110(24), 11679, 1999
8 Infinite basis limits in electronic structure theory
Fast PL, Sanchez ML, Truhlar DG
Journal of Chemical Physics, 111(7), 2921, 1999
9 Optimized parameters for scaling correlation energy
Fast PL, Corchado J, Sanchez ML, Truhlar DG
Journal of Physical Chemistry A, 103(17), 3139, 1999
10 Simple approximation of-core-correlation effects on binding energies
Fast PL, Truhlar DG
Journal of Physical Chemistry A, 103(20), 3802, 1999