共 7 条
- [1] ABINITIO MO CALCULATION OF NUCLEAR-QUADRUPOLE COUPLING-CONSTANTS OF H-2, LI-7 AND CL-35 IN LICL AND HCL MOLECULESJOURNAL OF MOLECULAR STRUCTURE, 1989, 192 (3-4) : 263 - 270LAL, AKESHARI, VCHANDRA, P
- [2] THE PREDICTION OF NUCLEAR-QUADRUPOLE MOMENTS FROM ABINITIO QUANTUM CHEMICAL STUDIES ON SMALL MOLECULES .1. THE ELECTRIC-FIELD GRADIENTS AT THE N-14 AND H-2 NUCLEI IN N-2, NO, NO+, CN, CN-, HCN, HNC, AND NH3JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (12): : 6908 - 6917CUMMINS, PLBACKSKAY, GBHUSH, NSAHLRICHS, R
- [3] ABINITIO MO CALCULATION OF NUCLEAR-QUADRUPOLE COUPLING-CONSTANT OF H-2 AND O-17 NUCLEI IN WATER MOLECULEJOURNAL OF MOLECULAR STRUCTURE, 1989, 192 (3-4) : 271 - 277KESHARI, VKARNA, SPCHANDRA, P
- [5] Hybrid quantum chemical studies for the methanol formation reaction assisted by the proton transfer mechanism in supercritical water:: CH3Cl+nH2O→CH3OH+HCl+(n-1)H2OJOURNAL OF CHEMICAL PHYSICS, 2003, 119 (16): : 8492 - 8499Hori, TTakahashi, HNitta, T
- [6] ABINITIO CALCULATIONS OF ELECTRIC-FIELD GRADIENT FOR THE B ... H-CL DIMERS - B = CO, HCN, H2O, H2S, C2H2, C2H4, NH3, PH3 AND CH3CNCHEMICAL PHYSICS, 1989, 137 (1-3) : 143 - 156DEALMEIDA, WBHINCHLIFFE, A