Mechanism and theory in organic chemistry: By Thomas H. Lowry and Kathleen Schueller Richardson, Harper and Row, New York, 1976, pp xi, 748.£11.95No abstract is available for this article.doi:10.1016/0307-4412(77)90040-1John Shorter...
Summary: The best physical organic chemistry book ever. Rating: 5 This is the deeper and best book I have of physical organic chemistry. It's a classic. Summary: natural phylosophy Rating: 5 the first advanced organic chemistry book concerned with the basic concepts that lead the reader to ...
谁有 1) Mechanism and Theory in Organic Chemistry T.H.Lowry K.S.Richardson 2) Advanced Organic Chemistry J. March 3) Advanced Organic Chemistry F.A.Carry R.J.Sundberg 还有一本叫物理有机化学的,不知道作者是谁, 有的话能麻烦发我一下吗? sjb1983@126.com 返回小木虫查看更多分享...
The potential energy surfaces in gas phase and in aqueous solution for the nitration of benzene, chlorobenzene, and phenol have been elucidated with density functional theory at the M06-2X/6-311G(d,p) level combined with the polarizable continuum solvent model (PCM). Three reaction intermediates...
Infusing theory into deep learning for interpretable reactivity prediction Article Open access 06 September 2021 A large-scale reaction dataset of mechanistic pathways of organic reactions Article Open access 10 August 2024 Data availability The datasets generated for training, validation and testing ...
The calculations were performed using both the restricted and unrestricted density functional theory (DFT) methods, with the M062X functional50and the 6-31+G* basis set. The Gaussian16 suite of programs was used51. The calculations were performed in vacuo or including the effect of water as ...
Understanding reaction mechanisms in organic chemistry from catastrophe theory applied to the electron localization function topology. The reaction mechanism of some relevant organic reactions: Diels-Alder, 1,3-dipolar cycloaddition and Cope rearrangement are reviewed to illustrate the ... V Polo,J Andres...
The catalytic mechanism of orotidine monophosphate decarboxylase (ODCase) has been modeled using density functional theory with the B3LYP functional. Barri... M Lundberg,MRA Blomberg,PEM Siegbahn - 《Topics in Current Chemistry》 被引量: 22发表: 2005年 The first branching point in porphyrin biosynt...
- 《Organic & Biomolecular Chemistry》 被引量: 9发表: 2014年 A density functional theory study on formation mechanism of CO, CO2 and CH4 in pyrolysis of lignin In order to understand formation mechanisms of CO, CO2 and CH4 in lignin pyrolysis, the decarbonylation, decarboxylation and ...
(Thu周四)5AdvancedOrganicChemistry(1)高等有机化学(I)Instructor:JingKuiYANG杨镜奎CollegeofChemistryandChemicalEngineeringGraduateUniversityofCAS(GUCAS)6Chapter1,MechanismofOrganicReaction1.1Mechanismandsuggestionstrategy1.2Methodsonthedeterminationofmechanism1.3Theoryrelatedtomechanism1.3.1Transitiontheory1.3.2Hammond...