Literature DB >> 17774721

Partial Charges on Atoms in Organic Compounds.

R T Sanderson.   

Abstract

Year:  1955        PMID： 17774721     DOI： 10.1126/science.121.3137.207

Source DB:  PubMed          Journal:  Science        ISSN： 0036-8075            Impact factor:   47.728


× No keyword cloud information.
  11 in total

1.  Theoretical study of the hydrogen abstraction from vitamin-E analogues. The usefulness of DFT descriptors.

Authors:  Soledad Gutiérrez-Oliva
Journal:  J Mol Model       Date:  2010-06-03       Impact factor: 1.810

2.  An Occam's razor approach to chemical hardness: lex parsimoniae.

Authors:  Peter Politzer; Jane S Murray
Journal:  J Mol Model       Date:  2018-11-06       Impact factor: 1.810

3.  Electronegativity-a perspective.

Authors:  Peter Politzer; Jane S Murray
Journal:  J Mol Model       Date:  2018-07-23       Impact factor: 1.810

4.  Influence of the monoclinic and tetragonal zirconia phases on the water gas shift reaction. A theoretical study.

Authors:  María Luisa Cerón; Barbara Herrera; Paulo Araya; Francisco Gracia; Alejandro Toro-Labbé
Journal:  J Mol Model       Date:  2013-02-02       Impact factor: 1.810

5.  Testing the ability of rhodanine and 2, 4-thiazolidinedione to interact with the human pancreatic alpha-amylase: electron-density descriptors complement molecular docking, QM, and QM/MM dynamics calculations.

Authors:  Rajendran Niranjana Devi; Maria G Khrenova; Samuel Israel; Chellam Anzline; Andrey A Astakhov; Vladimir G Tsirelson
Journal:  J Mol Model       Date:  2017-08-05       Impact factor: 1.810

6.  Electronic sensors for alkali and alkaline earth cations based on Fullerene-C60 and silicon doped on C60 nanocages: a computational study.

Authors:  Akbar Hassanpour; Mohammad Reza Poor Heravi; Azadeh Khanmohammadi
Journal:  J Mol Model       Date:  2022-05-13       Impact factor: 1.810

Review 7.  Conceptual density functional theory based electronic structure principles.

Authors:  Debdutta Chakraborty; Pratim Kumar Chattaraj
Journal:  Chem Sci       Date:  2021-03-31       Impact factor: 9.825

8.  In-Situ Electronegativity and the Bridging of Chemical Bonding Concepts.

Authors:  Stefano Racioppi; Martin Rahm
Journal:  Chemistry       Date:  2021-11-12       Impact factor: 5.020

9.  Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry.

Authors:  Luis R Domingo
Journal:  Molecules       Date:  2016-09-30       Impact factor: 4.411

Review 10.  Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity.

Authors:  Luis R Domingo; Mar Ríos-Gutiérrez; Patricia Pérez
Journal:  Molecules       Date:  2016-06-09       Impact factor: 4.411
View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.