標(biāo)題: Titlebook: Topological Approaches to the Chemical Bond; ángel Martín Pendás,Julia Contreras-García Textbook 2023 The Editor(s) (if applicable) and Th [打印本頁(yè)] 作者: 粗野的整個(gè) 時(shí)間: 2025-3-21 17:39
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書目名稱Topological Approaches to the Chemical Bond讀者反饋學(xué)科排名
作者: neutralize 時(shí)間: 2025-3-21 22:24
Electron Pairing Descriptorst scalars in real space that sense these different behaviors. We pay especial attention to the electron localization function?(ELF), which has been widely used in the literature. Several interpretations of ELF?are put forward, and its relation to Gillespie’s?valence shell electron pair repulsion (VSEPR) model examined.作者: 細(xì)胞學(xué) 時(shí)間: 2025-3-22 00:32 作者: 表兩個(gè) 時(shí)間: 2025-3-22 05:05 作者: aspersion 時(shí)間: 2025-3-22 12:26
Textbook 2023ed from the available textbooks. The book is accompanied by worked examples, exercises and solutions and is a great tool for any quantum chemistry or computational chemistry course at the graduate and advanced undergraduate levels..作者: 追逐 時(shí)間: 2025-3-22 15:28
2214-4714 duate textbook provides comprehensive information on topological analysis in real space of the electronic structure. Application of the topological tools is becoming routine for understanding the outcome of quantum chemical calculations. This title thoroughly reviews a selection of currently availab作者: Adherent 時(shí)間: 2025-3-22 20:33 作者: CAND 時(shí)間: 2025-3-22 22:36
Topological Spaces,will be introduced are well known from introductory courses in Mathematical Analysis (i.e. critical points of many-variables functions and their characterization by means of the Hessian matrix), while others (i.e. the axiomatic definition of a topological space) will be probably less familiar to the作者: Compass 時(shí)間: 2025-3-23 03:44 作者: Ancestor 時(shí)間: 2025-3-23 08:01 作者: infantile 時(shí)間: 2025-3-23 13:17 作者: BAN 時(shí)間: 2025-3-23 17:14
Molecules We will pay special attention to controversial cases, where topology was able to provide an answer difficult to obtain from a mere inspection of the molecular geometry. At the second stage, the real space tools are applied to a selected set of problems in chemical reactivity. A brief summary of the作者: PET-scan 時(shí)間: 2025-3-23 21:35
Solid Statecrystals. We have already presented what type of information can be extracted from the topological analysis?in isolated molecules. The conclusions obtained thereby are basically transferable to the study of molecular crystals, as long as we restrict ourselves to the molecules that constitute the con作者: MEET 時(shí)間: 2025-3-24 00:22
Algorithms and Softwareiefly consider the most important algorithms and software used in the topological analysis?of wavefunctions. We start with the algorithms designed to search for critical points and numerically integrate densities over real space basins and end with a quick tour around the main software packages used作者: 隼鷹 時(shí)間: 2025-3-24 02:59 作者: ABIDE 時(shí)間: 2025-3-24 09:29 作者: Harridan 時(shí)間: 2025-3-24 12:57 作者: Chemotherapy 時(shí)間: 2025-3-24 18:15 作者: 不如樂死去 時(shí)間: 2025-3-24 20:40
SolutionsThis chapter contains the solutions to the exercises of Chap.?..作者: 過(guò)時(shí) 時(shí)間: 2025-3-25 02:31 作者: 觀點(diǎn) 時(shí)間: 2025-3-25 05:10 作者: RECUR 時(shí)間: 2025-3-25 09:11
Topological Approaches to the Chemical Bond978-3-031-13666-5Series ISSN 2214-4714 Series E-ISSN 2214-4722 作者: Hiatus 時(shí)間: 2025-3-25 15:44
Algorithms and Softwareiefly consider the most important algorithms and software used in the topological analysis?of wavefunctions. We start with the algorithms designed to search for critical points and numerically integrate densities over real space basins and end with a quick tour around the main software packages used both in the molecular and solid state realms.作者: CANON 時(shí)間: 2025-3-25 16:12 作者: 重力 時(shí)間: 2025-3-25 23:35
https://doi.org/10.1007/978-3-031-13666-5Chemical bond; Chemical bond book; Atoms in molecules; Topological approach in molecules; Quantum chemic作者: adduction 時(shí)間: 2025-3-26 01:43
The Electron Densityesenting the general formalism of reduced densities and density matrices, and to use them to partition the energy in the interacting quantum atoms (IQA) approach or to construct localization and delocalization descriptors.作者: liaison 時(shí)間: 2025-3-26 07:32 作者: Choreography 時(shí)間: 2025-3-26 11:12 作者: Gyrate 時(shí)間: 2025-3-26 13:29 作者: 物質(zhì) 時(shí)間: 2025-3-26 16:58
ángel Martín Pendás,Julia Contreras-Garcíaratisation reforms. The book will appeal to practitioners working on institutionalisation reforms, institutionalist and democratisation researchers interested in post-authoritarian transitions, and area study scholars focusing on Albania and the Western Balkans..978-3-030-10310-1978-3-319-73071-4Series ISSN 2662-5857 Series E-ISSN 2662-5865 作者: amenity 時(shí)間: 2025-3-26 21:34 作者: geriatrician 時(shí)間: 2025-3-27 02:45 作者: 同謀 時(shí)間: 2025-3-27 05:34 作者: 準(zhǔn)則 時(shí)間: 2025-3-27 10:55
tionship with the external environment” (Bayart 2000: 218), particularly through commercial alliances with external actors (Reno 1997), rather than having to be accountable for their legitimacy to their fellow citizens and risk internal challenges from competing factions. In other words, strategies 作者: 拱形面包 時(shí)間: 2025-3-27 15:54 作者: 極深 時(shí)間: 2025-3-27 20:13
