共 50 条
- [21] A new approach for the acceleration of large-scale serial quantum chemical calculations of docking complexes Russian Chemical Bulletin, 2018, 67 : 1100 - 1103
- [22] A new algorithm for molecular fragmentation in quantum chemical calculations JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110 (28): : 8777 - 8785
- [23] STORAGE MANAGEMENT STRATEGIES IN LARGE-SCALE QUANTUM DYNAMICS CALCULATIONS THEORETICA CHIMICA ACTA, 1987, 72 (04): : 237 - 251
- [24] RELATIVISTIC ENERGY-ADJUSTED ABINITIO PSEUDOPOTENTIALS FOR QUANTUM CHEMICAL CALCULATIONS OF HEAVY-ELEMENT COMPOUNDS ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1993, 205 : 33 - PHYS
- [25] ABINITIO QUANTUM CHEMICAL CALCULATIONS AND ELECTROSTATIC MOLECULAR-POTENTIAL CONTOUR MAPS FOR THE MECHANISM OF CATIONIC POLYMERIZATION BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1981, 26 (04): : 548 - 548
- [26] Ab initio quantum chemical calculations for fullerene cages with large holes JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (19): : 10073 - 10080
- [27] CONFORMATIONS AND ELECTRONIC-STRUCTURE OF CYCLIC SULFITES AND QUANTUM-CHEMICAL CALCULATIONS, ABINITIO AND IN THE CNDO/2 APPROXIMATION BULLETIN OF THE ACADEMY OF SCIENCES OF THE USSR DIVISION OF CHEMICAL SCIENCE, 1984, 33 (10): : 2079 - 2083