841 |
Linear Scaling Conjugate-Gradient Density-Matrix Search as an Alternative to Diagonalization for First Principles Electronic-Structure Calculations Millam JM, Scuseria GE Journal of Chemical Physics, 106(13), 5569, 1997 |
842 |
Direct Perturbation-Theory of Relativistic Effects for Explicitly Correlated Wave-Functions - The He Isoelectronic Series Ottschofski E, Kutzelnigg W Journal of Chemical Physics, 106(16), 6634, 1997 |
843 |
Ghost Levels and Near-Variational Forms of the Discrete Variable Representation - Application to H2O Wei H Journal of Chemical Physics, 106(17), 6885, 1997 |
844 |
Benchmark Quality Total Atomization Energies of Small Polyatomic-Molecules Martin JM, Taylor PR Journal of Chemical Physics, 106(20), 8620, 1997 |
845 |
Fast, Accurate Semiempirical Molecular-Orbital Calculations for Macromolecules Dixon SL, Merz KM Journal of Chemical Physics, 107(3), 879, 1997 |
846 |
Thermomechanical Properties of the Crystal Phase of Poly(Ethylene-Terephthalate) by Molecular Modeling Rutledge GC Macromolecules, 30(9), 2785, 1997 |
847 |
Episodic Adaptive Evolution of Primate Lysozymes Messler W, Stewart CB Nature, 385(6612), 151, 1997 |
848 |
A New Nonsmooth Equations Approach to Nonlinear Complementarity-Problems Jiang HY, Qi LQ SIAM Journal on Control and Optimization, 35(1), 178, 1997 |
849 |
A Predictor-Corrector Algorithm for a Class of Nonlinear Saddle-Point Problems Sun J, Zhu JS, Zhao GY SIAM Journal on Control and Optimization, 35(2), 532, 1997 |
850 |
Proximal Minimization Methods with Generalized Bregman Functions Kiwiel KC SIAM Journal on Control and Optimization, 35(4), 1142, 1997 |