標(biāo)題: Titlebook: Electron Localization-Delocalization Matrices ; Chérif F. Matta,Paul W. Ayers,Ronald Cook Book 2024 Springer Nature Switzerland AG 2024 At [打印本頁] 作者: duodenum 時間: 2025-3-21 17:08
書目名稱Electron Localization-Delocalization Matrices 影響因子(影響力)
作者: 平常 時間: 2025-3-21 21:24
0342-4901 ular properties.Demonstrates the high efficacy of LDMs in vaThis book builds bridges between two yet separated branches of theoretical and mathematical chemistry: Chemical Graph Theory and Electronic Structure Calculations. Although either of the fields have developed their own techniques, problems,作者: 我沒有命令 時間: 2025-3-22 01:08
https://doi.org/10.1007/978-3-031-55064-5orthogonal, in PCA; or less correlated in the case of FA. If the original data set contains uncorrelated random variables, then PCA and FA become irrelevant since there is no data reduction possible in this case.作者: nepotism 時間: 2025-3-22 07:34
Principal Component Analysis of Localization-Delocalization Matrices,orthogonal, in PCA; or less correlated in the case of FA. If the original data set contains uncorrelated random variables, then PCA and FA become irrelevant since there is no data reduction possible in this case.作者: insurrection 時間: 2025-3-22 09:22 作者: 指耕作 時間: 2025-3-22 12:52
Electron Localization-Delocalization Matrices 978-3-031-51434-0Series ISSN 0342-4901 Series E-ISSN 2192-6603 作者: 指耕作 時間: 2025-3-22 20:09 作者: 廢墟 時間: 2025-3-22 22:39 作者: 沒有準(zhǔn)備 時間: 2025-3-23 03:41
https://doi.org/10.1007/978-3-030-82483-9Ismat Sumar of Saint Mary’s University, one of whom this book is dedicated, pioneered the first software implementation of an algorithm to automate the localization-delocalization matrices (LDMs) analysis of a series of molecules.作者: Abjure 時間: 2025-3-23 06:15
https://doi.org/10.1007/978-3-030-19163-4In previous chapters, we have demonstrated the extraction of chemical information from molecular structures . the use of Bader’s Quantum Theory of Atoms in Molecules (QTAIM) followed by the analysis of the electron localization-delocalization matrices by such methods as Principal Component Analysis (PCA) to predict useful properties.作者: probate 時間: 2025-3-23 12:56
Gibbon and the History of HeresyThis monograph presents a new approach to quantum chemically based quantitative structure-to-activity/property (QSAR/QSPR) relationships. The key for good model construction is to have good experimental (activity or property) data for as many compounds as possible.作者: 不愛防注射 時間: 2025-3-23 14:33
An Introduction to Electron Localization-Delocalization Matrices,This book has been written with the practicing chemist in sight. It is not a book on theoretical chemistry but rather one that is primarily focused on making practical predictions starting from theoretical chemistry calculations.作者: amorphous 時間: 2025-3-23 19:21
Localization-Delocalization Matrix Representation of Molecules,A network is a set of objects connected in a pairwise fashion. Frequently, the word . and . are used interchangeably, even though some authors stress that the network is a set of . connected objects, while the objects connected in a graph are identical. In this monograph, the two terms are used interchangeably.作者: Nomogram 時間: 2025-3-24 02:10
Molecular Fingerprinting using Localization-Delocalization Matrices: Computational Aspects,Ismat Sumar of Saint Mary’s University, one of whom this book is dedicated, pioneered the first software implementation of an algorithm to automate the localization-delocalization matrices (LDMs) analysis of a series of molecules.作者: outskirts 時間: 2025-3-24 03:51
Localization-Delocalization Matrices of Large Systems,In previous chapters, we have demonstrated the extraction of chemical information from molecular structures . the use of Bader’s Quantum Theory of Atoms in Molecules (QTAIM) followed by the analysis of the electron localization-delocalization matrices by such methods as Principal Component Analysis (PCA) to predict useful properties.作者: 放肆的我 時間: 2025-3-24 07:36 作者: 無脊椎 時間: 2025-3-24 11:55 作者: 焦慮 時間: 2025-3-24 17:19
Making Disciples of All Nations,tom, a molecule, an ion, a crystal, all have in common that they interact with their surroundings through their electron density distributions. All chemistry is a reflection of an underlying electronic charge interaction, transfer, loss, gain, 作者: Ventilator 時間: 2025-3-24 21:59 作者: 放棄 時間: 2025-3-24 23:21
https://doi.org/10.1007/978-3-030-86830-7ors including mosquitoes. At the same time, mosquitoes are human’s worst enemy. They transmit the protozoan parasite that causes malaria and several viruses that cause dangerous infections such as dengue, yellow fever, West Nile, Chikungunya, encephalitis, and Zika.作者: 補(bǔ)角 時間: 2025-3-25 04:01
Gabriella D’Agostino,Vincenzo Matera. They can enhance the rate of virtually all the chemical reactions within cells and by astronomical factors so much as to often limit reaction rates by diffusion, that is, the access of the substrate through its random walk to the active site of the enzyme. Enzymatically-catalyzed reactions are accelerated by typical factors of 10.–10..作者: braggadocio 時間: 2025-3-25 08:26 作者: CHART 時間: 2025-3-25 12:44 作者: Anecdote 時間: 2025-3-25 18:35
Localization-Delocalization Matrices Analysis for Corrosion Inhibition,diction of corrosion inhibitors’ activities. Furthermore, the analysis is shown to go beyond the mere prediction of activity to deepen our mechanistic understanding by uncovering the active molecular species (e.g., the protonation state or dimerization state) that are responsible for a given compound’s activity in inhibiting corrosion.作者: 結(jié)束 時間: 2025-3-25 23:29
Localization-Delocalization Matrices Analysis in Predicting Mosquito Repellency,ors including mosquitoes. At the same time, mosquitoes are human’s worst enemy. They transmit the protozoan parasite that causes malaria and several viruses that cause dangerous infections such as dengue, yellow fever, West Nile, Chikungunya, encephalitis, and Zika.作者: REP 時間: 2025-3-26 00:10 作者: Foregery 時間: 2025-3-26 05:57 作者: CUMB 時間: 2025-3-26 10:21 作者: 拱墻 時間: 2025-3-26 15:26 作者: 印第安人 時間: 2025-3-26 20:17 作者: pellagra 時間: 2025-3-26 22:20
Making Disciples of All Nations,tom, a molecule, an ion, a crystal, all have in common that they interact with their surroundings through their electron density distributions. All chemistry is a reflection of an underlying electronic charge interaction, transfer, loss, gain, 作者: Munificent 時間: 2025-3-27 04:00 作者: 假裝是我 時間: 2025-3-27 07:52 作者: Exposition 時間: 2025-3-27 12:40 作者: Interim 時間: 2025-3-27 15:00 作者: forecast 時間: 2025-3-27 19:23 作者: NAG 時間: 2025-3-27 22:59
The Quantum Theory of Atoms in Molecules and Electron Localization and Delocalization,tom, a molecule, an ion, a crystal, all have in common that they interact with their surroundings through their electron density distributions. All chemistry is a reflection of an underlying electronic charge interaction, transfer, loss, gain, 作者: Keshan-disease 時間: 2025-3-28 02:21 作者: 發(fā)源 時間: 2025-3-28 09:27 作者: 鐵砧 時間: 2025-3-28 13:01 作者: 使聲音降低 時間: 2025-3-28 15:47 作者: 永久 時間: 2025-3-28 19:35 作者: 遵循的規(guī)范 時間: 2025-3-29 01:39
0342-4901 to download, so that readers can try running their own simulations. The described methods are very general and can easily be implemented for calculating various properties and parameters such as mosquito repel978-3-031-51434-0Series ISSN 0342-4901 Series E-ISSN 2192-6603 作者: 正論 時間: 2025-3-29 03:50
Conference proceedings 2022logy, dry friction and wear, green tribology, green lubricant, lubricant and fuel, surface engineering. The contents of this book appeal globally to scientists, scholars, engineers, and students from universities, research institutions, and industries working in the field of tribology..作者: 外面 時間: 2025-3-29 10:35
Neural End-to-End Self-learning of Visuomotor Skills by Environment Interaction interaction with the environment based on initial motor abilities. Supervised end-to-end learning of visuomotor skills is realized with a deep convolutional neural architecture that combines two important subtasks of grasping: object localization and inverse kinematics.作者: 得意人 時間: 2025-3-29 12:48
Thrombin: Structure, Functions, and Regulation,etween the Na.-free slow form E and the Na.-bound fast form E:Na. involves the structure of the enzyme as a whole, and so does the interconversion between the two Na.-free forms E* and E. E* is most likely an inactive form of thrombin, unable to interact with Na. and substrate.作者: Allodynia 時間: 2025-3-29 19:35 作者: Incorruptible 時間: 2025-3-29 22:29 作者: mighty 時間: 2025-3-30 03:38 作者: Malfunction 時間: 2025-3-30 07:13
https://doi.org/10.1007/978-3-319-55648-2an develop an accurate model? Some of these research questions are discussed in this research. Finally, this research looks into the major methods for designing a model storage unit for industrial hazardous waste.作者: 暫時休息 時間: 2025-3-30 09:10 作者: 教唆 時間: 2025-3-30 15:43
