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- [21] SCALED QUANTUM-MECHANICAL (SQM) FORCE-FIELD AND VIBRATIONAL ASSIGNMENT FOR STYRENEJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1994, 112 (2-3): : 293 - 311HARGITAI, RSZALAY, PGPONGOR, GFOGARASI, G
- [22] SCALED QUANTUM-MECHANICAL (SQM) FORCE-FIELD AND VIBRATIONAL ASSIGNMENT FOR HEXATRIENEJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1987, 36 : 341 - 354FOGARASI, GSZALAY, PGLIESCHESKI, PPBOGGS, JEPULAY, P
- [23] Testing the validity of scaling the quantum mechanical molecular force fields for rotational isomers J Phys Chem, 49 (17544):
- [24] Some aspects of scaling the molecular quantum mechanical force fieldJOURNAL OF MOLECULAR STRUCTURE, 1996, 376 : 363 - 368Pupyshev, VIStepanov, NFKrasnoshchiokov, SVDeMare, GRPanchenko, YN
- [25] Vibrational anharmonicity and scaling the quantum mechanical molecular force fieldJOURNAL OF MOLECULAR STRUCTURE, 2000, 550 : 495 - 504Panchenko, YNPupyshev, VIBock, CW
- [26] AN ABINITIO CALCULATION OF THE STRUCTURE AND SCALED QUANTUM-MECHANICAL HARMONIC FORCE-FIELD OF NITROMETHANEJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1987, 34 (3-4): : 201 - 211BOCK, CWKRASNOSHCHIOKOV, SVKHRISTENKO, LVPANCHENKO, YNPENTIN, YA
- [27] Vibrational assignment and definite harmonic force field for porphine .1. Scaled quantum mechanical results and comparison with empirical force fieldJOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (17): : 7007 - 7013Kozlowski, PMJarzecki, AAPulay, P
- [29] VIBRATIONAL-SPECTRA, NORMAL VIBRATIONS AND ROTATIONAL-ISOMERISM OF ALKYLSILANES .3. MOLECULAR-FORCE FIELDJOURNAL OF MOLECULAR STRUCTURE, 1979, 56 (02) : 191 - 198MATSUURA, HMURATA, H