共 50 条
- [21] Spatial mercator coordinates.JOURNAL FUR DIE REINE UND ANGEWANDTE MATHEMATIK, 1949, 186 (1-4): : 65 - 69Kowalewski, Gerhard
- [22] An efficient direct method for geometry optimization of large molecules in internal coordinatesJOURNAL OF CHEMICAL PHYSICS, 1998, 109 (16): : 6571 - 6576Paizs, BFogarasi, GPulay, P
- [23] Efficient direct method for geometry optimization of large molecules in internal coordinatesJournal of Chemical Physics, 1998, 109 (16):Paiz, BelaFogarasi, GezaPulay, Peter
- [24] The efficient optimization of molecular geometries using redundant internal coordinatesJOURNAL OF CHEMICAL PHYSICS, 2002, 117 (20): : 9160 - 9174Bakken, VHelgaker, T
- [25] Internal coordinates for molecular dynamics and minimization in structure determination and refinementJOURNAL OF MAGNETIC RESONANCE, 2001, 152 (02) : 288 - 302Schwieters, CDClore, GM
- [26] GneimoSim: A Modular Internal Coordinates Molecular Dynamics Simulation PackageJOURNAL OF COMPUTATIONAL CHEMISTRY, 2014, 35 (31) : 2245 - 2255Larsen, Adrien B.Wagner, Jeffrey R.Kandel, SaugatSalomon-Ferrer, RomeliaVaidehi, NagarajanJain, Abhinandan
- [27] GEOMETRY OPTIMIZATION OF TRANSITION-METAL COMPLEXES USING NATURAL INTERNAL COORDINATESABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1995, 209 : 152 - PHYSBERCES, AZIEGLER, T
- [28] The derivation of vibration-rotation kinetic energy operators in internal coordinates. II1997, (92)Colwell, S. M.Handy, N. C.
- [29] Implementation of the generalized internal coordinates for molecular geometry, energy gradients, and force constantsABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 249Marenich, AleksandrHratchian, HrantSonnenberg, JasonFrisch, Michael