共 50 条
- [1] Molecular structure and vibrational spectra of melamine diborate by density functional theory and ab initio Hartree-Fock calculationsJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2005, 713 (1-3): : 21 - 26Atalay, YAvci, DBasoglu, AOkur, I
- [2] Density Functional Theory and ab initio Hartree-Fock Calculations of Molecular Structure and Vibrational Spectra of Anilinium NitrateZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 2008, 63 (10-11): : 712 - 720Avci, DavutBasoglu, AdilAtalay, Yusuf
- [3] Molecular structures and vibrational spectra of pyrrole and carbazole by density functional theory and conventional ab initio calculationsJOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (37): : 15073 - 15078Lee, SYBoo, BH
- [4] Molecular structure and vibrational IR spectra of cytosine and its thio and seleno analogues by density functional theory and conventional ab initio calculationsJOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (03): : 941 - 953Kwiatkowski, JSLeszczynski, J
- [5] Molecular structure and vibrational spectra of lepidine and 2-chlorolepidine by density functional theory and ab initio Hartree-Fock CalculationsJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2005, 730 (1-3): : 59 - 67Kurt, MYurdakul, S
- [6] Molecular structure and vibrational assignment of melaminium phthalate by density functional theory (DFT) and ab initio Hartree-Fock (HF) calculationsSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2008, 71 (01) : 169 - 174Tarcan, ErdoganAltindag, OezgueAvci, DavutAtalay, Yusuf
- [7] Molecular structure and vibrational spectra of indole and 5-aminoindole by density functional theory and ab initio Hartree-Fock calculationsJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2008, 850 (1-3): : 84 - 93Sundaraganesan, N.Umamaheswari, H.Joshua, B. DominicMeganathan, C.Ramalingam, M.
- [8] Molecular structure and vibrational spectra of 2-formyl benzonitrile by density functional theory and ab initio Hartree-Fock calculationsJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2007, 822 (1-3): : 45 - 47Misra, NeerajPrasad, OnkarSinha, LeenaPandey, Anoop
- [9] Molecular structure and vibrational spectra of piperidine and 4-methylpiperidine by density functional theory and ab initio Hartree-Fock calculationsJOURNAL OF MOLECULAR STRUCTURE, 2007, 834 (SPEC. ISS.) : 540 - 547Gulluoglu, M. TahirErdogdu, YusufYurdakul, Senay
- [10] Molecular structure and vibrational spectra of 4-tert-butylpyridine by density functional theory and ab initio Hartree-Fock calculationsJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2003, 663 (1-3): : 127 - 134Kurt, MYurdakul, MYurdakul, S