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- [21] Energetic and spectroscopic properties of the low-lying C7H2 isomers: a high-level ab initio perspectivePHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 19 (27) : 17685 - 17697Thimmakondu, Venkatesan S.Karton, Amir
- [22] Photodissociation of the CH2Cl radical: A high-level ab initio studyJOURNAL OF CHEMICAL PHYSICS, 2024, 161 (23):Charfeddine, F.Yazidi, O.Zanchet, A.Banares, L.Garcia-Vela, A.
- [23] Study of the torsional potential energies of 2-methylpropane, n-butane, and 2-methylbutane with high-level ab initio calculationsJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2007, 814 (1-3): : 43 - 49Hafezi, Mohammad JavadSharif, Farhad
- [24] High-level ab initio calculation and assessment of the dissociation and ionization energies of NH2 and NH3 neutrals or cationsCHEMICAL PHYSICS LETTERS, 1996, 258 (3-4) : 431 - 435Su, KHHu, XLLi, XYWang, YBWen, ZY
- [25] Ab initio study on interaction energies of CO2 amine complexes: Effects of amine substituentsABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 243Jorgensen, Kameron R.Cundari, Thomas R.Wilson, Angela K.
- [27] High-Level ab Initio Predictions for the Ionization Energies, Bond Dissociation Energies, and Heats of Formation of Titanium Oxides and Their Cations (TiOn/TiOn+, n=1 and 2)JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 121 (03): : 669 - 679Pan, YiLuo, ZhihongChang, Yih-ChungLau, Kai-ChungNg, C. Y.
- [28] Electronic isomers in [(CO2)nROH]- cluster anions.: II.: Ab initio calculationsJOURNAL OF CHEMICAL PHYSICS, 1999, 111 (14): : 6333 - 6344Saeki, MTsukuda, TIwata, SNagata, T
- [29] The torsional potential in 2,2′-bipyrrole revisited:: High-level ab initio and DFT resultsCHEMICAL PHYSICS LETTERS, 2005, 411 (4-6) : 321 - 326Sancho-García, JCKarpfen, A
- [30] Conformational analysis of 2,2′-bifuran:: correlated high-level ab initio and DFT resultsTHEORETICAL CHEMISTRY ACCOUNTS, 2006, 115 (05) : 427 - 433Sancho-Garcia, J. C.Karpfen, A.