相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Kinetics, thermodynamics, equilibrium, surface modelling, and atomic absorption analysis of selective Cu(II) removal from aqueous solutions and rivers water using silica-2-(pyridin-2-ylmethoxy) ethan-1-ol hybrid material
Said Tighadouini et al.
RSC ADVANCES (2021)
Molecular modeling and biological activity analysis of new organic-inorganic hybrid: 2-(3,4-dihydroxyphenyl) ethanaminium nitrate
Mouna Medimagh et al.
JOURNAL OF KING SAUD UNIVERSITY SCIENCE (2021)
Ambimodal Transition States in Diels-Alder Cycloadditions of Tropolone and Tropolonate with N-Methylmaleimide**
Hong Zhang et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)
Formation of 6-Azaindoles by Intramolecular Diels-Alder Reaction of Oxazoles and Total Synthesis of Marinoquinoline A
Mana Osano et al.
ORGANIC LETTERS (2020)
Distance-Selected Topochemical Dehydro-Diels-Alder Reaction of 1,4-Diphenylbutadiyne toward Crystalline Graphitic Nanoribbons
Peijie Zhang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Chiral Hydroxytetraphenylene-Boron Complex Catalyzed Asymmetric Diels-Alder Cycloaddition of 2'-Hydroxychalcones
Guo-Li Chai et al.
ORGANIC LETTERS (2020)
Annulations involving 2-arylidene-1,3-indanediones: stereoselective synthesis of spiro- and fused scaffolds
Suven Das
NEW JOURNAL OF CHEMISTRY (2020)
QTAIM and IRC studies for the evaluation of activation energy on the C=P, C=N and C=O Diels-Alder reaction
Imad Hammoudan et al.
HELIYON (2020)
A molecular electron density theory study of the participation of tetrazines in aza-Diels-Alder reactions
Luis R. Domingo et al.
RSC ADVANCES (2020)
One-step versus two-step mechanism of Diels-Alder reaction of 1-chloro-1-nitroethene with cyclopentadiene and furan
Radomir Jasinski
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2017)
Synthesis of a Phlorin from a Meso-Fused Anthriporphyrin by a Diels-Alder Strategy
Adil S. Aslam et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)
Interpretation of the reduced density gradient
Roberto A. Boto et al.
MOLECULAR PHYSICS (2016)
Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview
I. B. Obot et al.
CORROSION SCIENCE (2015)
Automated Discovery of Elementary Chemical Reaction Steps Using Freezing String and Berny Optimization Methods
Yury V. Suleimanov et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Do QTAIM metrics correlate with the strength of heavy element-ligand bonds?
Abigail R. E. Mountain et al.
DALTON TRANSACTIONS (2013)
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
Localized-orbital locator (LOL) profiles of transition-metal hydride and dihydrogen complexes1,2
Heiko Jacobsen
CANADIAN JOURNAL OF CHEMISTRY (2009)
Transition State Distortion Energies Correlate with Activation Energies of 1,4-Dihydrogenations and Diels-Alder Cycloadditions of Aromatic Molecules
Amy E. Hayden et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Diels-Alder adducts from flavonoid
Marie-France Laroche et al.
TETRAHEDRON LETTERS (2007)
Why does the B3LYP hybrid functional fail for metals?
Joachim Paier et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Origin of the stereo- and regioselectivities in the Diels-Alder reactions of azaphospholes: a DFT investigation
RK Bansal et al.
TETRAHEDRON (2006)
Interacting quantum atoms:: A correlated energy decomposition scheme based on the Quantum Theory of Atoms in Molecules
MA Blanco et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2005)
Charge-shift bonding - A class of electron-pair bonds that emerges from valence bond theory and is supported by the electron localization function approach
S Shaik et al.
CHEMISTRY-A EUROPEAN JOURNAL (2005)
An analysis of the changes in aromaticity and planarity along the reaction path of the simplest Diels-Alder reaction.: Exploring the validity of different indicators of aromaticity
E Matito et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2005)
Density functional theory of the mechanism of 1.3-dipolar cycloaddition reactions of C,N-diphenylnitrone with ethylenic and acetylenic fluorinated dipolarophiles
K Marakchi et al.
JOURNAL OF FLUORINE CHEMISTRY (2002)
Isotope effects and the distinction between synchronous, asynchronous, and stepwise Diels-Alder reactions
DA Singleton et al.
TETRAHEDRON (2001)
Chemical content of the kinetic energy density
HL Schmider et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2000)
Theoretical analysis of concerted and stepwise mechanisms of Diels-Alder reaction between butadiene and ethylene
S Sakai
JOURNAL OF PHYSICAL CHEMISTRY A (2000)
A computational study of aromaticity-controlled Diels-Alder reactions
M Manoharan et al.
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 (2000)
分享论文
