| 1 |
A LFER analysis of the singlet-triplet gap in a series of sixty-six carbenes
Alkorta I, Elguero J
Chemical Physics Letters, 691, 33, 2018 |
| 2 |
Effects of structural differences on the NMR chemical shifts in cinnamic acid derivatives: Comparison of GIAO and GIPAW calculations
Szeleszczuk L, Pisklak DM, Zielinska-Pisklak M, Wawer I
Chemical Physics Letters, 653, 35, 2016 |
| 3 |
Increased selectivity in the formation of the phenoxy ether of methyl lesquerolate over chloroalkyl-modified SBA-15-SO3H catalysts
Jackson MA, Appell M
Applied Catalysis A: General, 373(1-2), 90, 2010 |
| 4 |
Preparation, GIAO NMR calculations and acidic properties of some novel 4,5-dihydro-1H-1,2,4-triazol-5-one derivatives with their antioxidant activities
Yuksek H, Alkan M, Cakmak I, Ocak Z, Bahceci S, Calapoglu M, Elmastas M, Kolomuc A, Aksu H
International Journal of Molecular Sciences, 9(1), 12, 2008 |
| 5 |
Synthesis and GIAO NMR calculations for some novel 4-heteroarylidenamino-4,5-dihydro-1H-1,2,4-triazol-5-one derivatives: Comparison of theoretical and experimental H-1- and C-13-chemical shifts
Yuksek H, Cakmak I, Sadi S, Alkan M, Baykara H
International Journal of Molecular Sciences, 6(6-8), 219, 2005 |
| 6 |
Synthesis of the heptamethylbenzenium cation in zeolite-beta: in situ NMR and theory
Song WG, Nicholas JB, Sassi A, Haw JF
Catalysis Letters, 81(1-2), 49, 2002 |
| 7 |
Ab Initio Calculations of P-31 NMR Chemical Shielding Anisotropy Tensors in Phosphates: Variations Due to Ring Formation
Alam TM
International Journal of Molecular Sciences, 3(8), 888, 2002 |
| 8 |
A New Graphical Model for Proton NMR (De)shielding over a Carbon-Carbon Double Bond to Replace the Shielding Cone Model
Martin NH, Brown JD
International Journal of Molecular Sciences, 1(4), 84, 2000 |
| 9 |
Gas-phase reaction of tetraborane(10) and ethyne : Molecular structure of nido-1,2-C2B3H7 in the gas phase
Fox MA, Greatrex R, Nikrahi A, Brain PT, Picton MJ, Rankin DWH, Robertson HE, Buhl M, Li L, Beaudet RA
Inorganic Chemistry, 37(9), 2166, 1998 |
| 10 |
Dicarbaheteroborane chemistry. Representatives of two eleven-vertex dicarbaazaundecaborane families : nido-10,7,8-NC2B8H11, its N-substituted derivatives, and arachno-1,8,11-NC2B8H13
Plesek J, Stibr B, Hnyk D, Jelinek T, Hermanek S, Kennedy JD, Hofmann M, Schleyer RV
Inorganic Chemistry, 37(16), 3902, 1998 |
