검색결과 : 19건
| No. | Article |
|---|---|
| 1 |
Weak Intermolecular CH center dot center dot center dot N Hydrogen Bonding: Determination of (CH)-C-13-N-15 Hydrogen-Bond Mediated J Couplings by Solid-State NMR Spectroscopy and First-Principles Calculations Webber AL, Yates JR, Zilka M, Sturniolo S, Uldry AC, Corlett EK, Pickard CJ, Perez-Torralba M, Garcia MA, Santa Maria D, Claramunt RM, Brown SP Journal of Physical Chemistry A, 124(3), 560, 2020 |
| 2 |
The Curious Case of 2-Propy1-1H-benzimidazole in the Solid State: An Experimental and Theoretical Study Quesada-Moreno MM, Cruz-Cabeza AJ, Aviles-Moreno JR, Cabildo P, Claramunt RM, Alkorta I, Elguero J, Zuniga FJ, Lopez-Gonzalez JJ Journal of Physical Chemistry A, 121(30), 5665, 2017 |
| 3 |
Structural and thermodynamic properties of new pyrazolo[3,4-d]pyridazinones Frizzo CP, Villetti MA, Tier AZ, Gindri IM, Buriol L, Rosa FA, Claramunt RM, Sanz D, Martins MAP Thermochimica Acta, 574, 63, 2013 |
| 4 |
Energetic studies of urea derivatives: Standard molar enthalpy of formation of 3,4,4'-trichlorocarbanilide da Silva MDMCR, da Silva MAVR, Freitas VLS, Roux MV, Jimenez P, Davalos JZ, Cabildo P, Claramunt RM, Pinilla E, Torres MR, Elguero J Journal of Chemical Thermodynamics, 42(4), 536, 2010 |
| 5 |
Computational Thermochemistry of Six Ureas, Imidazolidin-2-one, N,N'-Trimethyleneurea, Benzimidazolinone, Parabanic Acid, Barbital (5,5'-Diethylbarbituric Acid), and 3,4,4'-Trichlorocarbanilide, with an Extension to Related Compounds Davalos JZ, da Silva MDMCR, da Silva MAVR, Freitas VLS, Jimenez P, Roux MV, Cabildo P, Claramunt RM, Elguero J Journal of Physical Chemistry A, 114(34), 9237, 2010 |
| 6 |
NMR Crystallography of Campho[2,3-c]pyrazole (Z'=6): Combining High-Resolution H-1-C-13 Solid-State MAS NMR Spectroscopy and GIPAW Chemical-Shift Calculations Webber AL, Emsley L, Claramunt RM, Brown SP Journal of Physical Chemistry A, 114(38), 10435, 2010 |
| 7 |
Structural studies of cyclic ureas: 3. Enthalpy of formation of barbital da Silva MDMCR, da Silva MAVR, Freitas VLS, Roux MV, Jimenez P, Temprado M, Davalos JZ, Cabildo P, Claramunt RM, Elguero J Journal of Chemical Thermodynamics, 41(12), 1400, 2009 |
| 8 |
Structural studies of cyclic ureas: 1. Enthalpies of formation of imidazolidin-2-one and N,N'-trimethyleneurea da Silva MDMC, da Silva MAVR, Freitas VLS, Roux MV, Jimenez P, Temprado M, Davalos JZ, Cabildo P, Claramunt RM, Elguero J Journal of Chemical Thermodynamics, 40(3), 386, 2008 |
| 9 |
Structural studies of cyclic ureas: 2. Enthalpy of formation of parabanic acid da Silva MDMCR, da Silva MAVR, Freitas VLS, Roux MV, Jimenez P, Davalos JZ, Cabildo P, Claramunt RM, Elguero J Journal of Chemical Thermodynamics, 40(9), 1378, 2008 |
| 10 |
Quantifying weak hydrogen bonding in uracil and 4-cyano-4'-ethynylbiphenyl: A combined computational and experimental investigation of NMR chemical shifts in the solid state Uldry AC, Griffin JM, Yates JR, Perez-Torralba M, Maria MDS, Webber AL, Beaumont MLL, Samoson A, Claramunt RM, Pickard CJ, Brown SP Journal of the American Chemical Society, 130(3), 945, 2008 |