화학공학소재연구정보센터
검색결과 : 21건
No. Article
1 Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study
Emel'yanenko VN, Zaitseva KV, Agapito F, Simoes JAM, Verevkin SP
Journal of Chemical Thermodynamics, 85, 155, 2015
2 The Thermochemistry of Cubane 50 Years after Its Synthesis: A High-Level Theoretical Study of Cubane and Its Derivatives
Agapito F, Santos RC, dos Santos RMB, Simoes JAM
Journal of Physical Chemistry A, 119(12), 2998, 2015
3 The life and career of Manuel Ribeiro da Silva Obituary
Simoes JAM, Liebman JF, Monte MJS
Journal of Chemical Thermodynamics, 73, 1, 2014
4 Energetics of H-atom addition to naphthalene: A thermochemical cycle from tetralin to naphthalene
Santos RC, Agapito F, Goncalves EM, Simoes JAM, dos Santos RMB
Journal of Chemical Thermodynamics, 61, 83, 2013
5 Energetics of Nonbonded Ortho Interactions in Alkylbenzenes
Agapito F, Santos RC, Simoes JAM
Journal of Physical Chemistry A, 117(13), 2873, 2013
6 Additivity methods for prediction of thermochemical properties. The Laidler method revisited. 2. Hydrocarbons including substituted cyclic compounds
Santos RC, Leal JP, Simoes JAM
Journal of Chemical Thermodynamics, 41(12), 1356, 2009
7 Energetics of tert-Butoxyl Addition Reaction to Norbornadiene: A Method for Estimating the pi-Bond Strength of a Carbon-Carbon Double Bond
Nunes PM, Estacio SG, Lopes GT, Agapito F, Santos RC, Cabral BJC, dos Santos RMB, Simoes JAM
Journal of Physical Chemistry A, 113(23), 6524, 2009
8 The enthalpy of formation of the pentane-2,4-dionate radical: A complete basis set approach
do Couto PC, Cabral BJC, Simoes JAM
Chemical Physics Letters, 419(4-6), 486, 2006
9 S-H bond dissociation enthalpies: The importance of a complete basis set approach
do Couto PC, Cabral BJC, Simoes JAM
Chemical Physics Letters, 421(4-6), 504, 2006
10 Enthalpy of formation of the cyclopentadienyl radical: Photoacoustic calorimetry and ab initio studies
Nunes PM, Agapito F, Cabral BJC, dos Santos RMB, Simoes JAM
Journal of Physical Chemistry A, 110(15), 5130, 2006