標(biāo)題: Titlebook: Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry; A. Veillard Book 1986 D. Reidel Publishing Company, Dord [打印本頁(yè)] 作者: 不讓做的事 時(shí)間: 2025-3-21 17:36
書(shū)目名稱Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry影響因子(影響力)
書(shū)目名稱Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry影響因子(影響力)學(xué)科排名
書(shū)目名稱Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry網(wǎng)絡(luò)公開(kāi)度
書(shū)目名稱Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry網(wǎng)絡(luò)公開(kāi)度學(xué)科排名
書(shū)目名稱Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry被引頻次
書(shū)目名稱Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry被引頻次學(xué)科排名
書(shū)目名稱Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry年度引用
書(shū)目名稱Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry年度引用學(xué)科排名
書(shū)目名稱Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry讀者反饋
書(shū)目名稱Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry讀者反饋學(xué)科排名
作者: 宏偉 時(shí)間: 2025-3-22 00:05 作者: 性冷淡 時(shí)間: 2025-3-22 03:27
978-94-010-8569-4D. Reidel Publishing Company, Dordrecht, Holland 1986作者: left-ventricle 時(shí)間: 2025-3-22 07:00
Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry978-94-009-4656-9Series ISSN 1389-2185 作者: 拋物線 時(shí)間: 2025-3-22 09:19
,Applications of the LCGTO-Xα Method to Transition Metal Carbonyls,ths and for the force constants is satisfactory. The deviations are significantly smaller than those encountered in Hartree-Fock calculations. A systematic trend to overestimate the metal to carbon bond strength is observed and attributed to the local density approximation.作者: Indecisive 時(shí)間: 2025-3-22 16:29
Nato Science Series C:http://image.papertrans.cn/q/image/781064.jpg作者: Granular 時(shí)間: 2025-3-22 17:42
https://doi.org/10.1007/978-94-009-4656-9bonding; catalysis; metals; photochemistry; quantum chemistry; spectroscopy; structure作者: NAVEN 時(shí)間: 2025-3-22 22:52
Charles W. Bauschlicher Jr.,Stephen P. Walch,Stephen R. Langhoffer?nderter Form über den Absatzmarkt vertrieben. Die Gesch?ftsvorf?lle, die dabei anfallen, ver?ndern die wirtschaftliche Lage eines Unternehmens und entsprechend das Eigenkapital und damit die Differenz zwischen Verm?gen und Schulden (erfolgswirksame Gesch?ftsvorf?lle). Das Eigenkapital stellt nebe作者: NOT 時(shí)間: 2025-3-23 02:55
M. Pélissier,J. P. Daudey,J. P. Malrieu,G. H. Jeunger?nderter Form über den Absatzmarkt vertrieben. Die Gesch?ftsvorf?lle, die dabei anfallen, ver?ndern die wirtschaftliche Lage eines Unternehmens und entsprechend das Eigenkapital und damit die Differenz zwischen Verm?gen und Schulden (erfolgswirksame Gesch?ftsvorf?lle). Das Eigenkapital stellt nebe作者: 軟膏 時(shí)間: 2025-3-23 08:31
M. Tranquille wurden v. a. die Abschnitte Gesch?ftsvorf?lle im Personalbereich, Steuern in der Buchführung, Abschreibung auf Anlagegüter sowie Rückstellungen überarbeitet und aktualisiert. Zudem wurden die ?nderungen durch das Bilanzrichtlinie-Umsetzungsgesetz (BilRUG) von 2015 berücksichtigt..978-3-662-49811-8作者: acetylcholine 時(shí)間: 2025-3-23 11:14
P. J. Bruna,J. Anglada wurden v. a. die Abschnitte Gesch?ftsvorf?lle im Personalbereich, Steuern in der Buchführung, Abschreibung auf Anlagegüter sowie Rückstellungen überarbeitet und aktualisiert. Zudem wurden die ?nderungen durch das Bilanzrichtlinie-Umsetzungsgesetz (BilRUG) von 2015 berücksichtigt..978-3-662-49811-8作者: 陰謀 時(shí)間: 2025-3-23 14:21 作者: MELD 時(shí)間: 2025-3-23 21:43 作者: HIKE 時(shí)間: 2025-3-23 22:31
P. Jeffrey Hay,Celeste McMichael Rohlfingh Unl?slichkeit in Wasser und Aussehen lebhaft an das Wismuthydrat erinnern. Aus der Stellung des Arsens im periodischen System über dem Antimon ergibt sich ohne weiteres, da? die Oxyde und Sulfide des Arsens st?rker sauren Charakter haben als die gleichen Verbindungen des Antimons. Die Arsenoxyde u作者: BOLT 時(shí)間: 2025-3-24 06:14 作者: hegemony 時(shí)間: 2025-3-24 07:53 作者: 的是兄弟 時(shí)間: 2025-3-24 14:13 作者: muster 時(shí)間: 2025-3-24 17:01
Tom Ziegler,Vincenzo Tschinke,Louis Versluis Korea eine Kolonie Japans war, wurde die Bezeichnung Joseon beibehalten. In den Jahren 1945 bis 1948 war der Süden Koreas von amerikanischen Truppen besetzt, w?hrend der Norden sowjetisches Einflussgebiet wurde. 1948 wurde Korea in die südkoreanische Republik und die nordkoreanische Volksrepublik g作者: 除草劑 時(shí)間: 2025-3-24 22:14 作者: ablate 時(shí)間: 2025-3-25 02:43
The Nature of the Bonding in the Transition Metal Trimers,e 4s electrons, leading to a .E′ state which is strongly Jahn-Teller distorted. Based on the Ca.. SC., and Cu. calculations and preliminary calculations on Ti., the bonding in the other transition metal trimers, including V. and Cr. is also discussed.作者: INTER 時(shí)間: 2025-3-25 05:28 作者: Monocle 時(shí)間: 2025-3-25 10:46
Book 1986omium molecule Crz still represents a challenge to quantum chemists. Yet many advances have been made recently in the theoretical treatment of these systems, despite the fact that our understanding still remains disparate with a variety of models and methodologies used more or less successfully (one作者: 里程碑 時(shí)間: 2025-3-25 11:39
M. Blomberg,U. Brandemark,I. Panas,P. Siegbahn,U. Wahlgren作者: Pudendal-Nerve 時(shí)間: 2025-3-25 17:46
J. C. Barthelat,M. Hliwa,G. Nicolas,M. Pélissier,F. Spiegelmann作者: 萬(wàn)靈丹 時(shí)間: 2025-3-25 20:58 作者: 合法 時(shí)間: 2025-3-26 01:16 作者: paragon 時(shí)間: 2025-3-26 07:41 作者: 清晰 時(shí)間: 2025-3-26 12:33
L. G. Vanquickenborne,I. Hyla-Kryspin,M. Hendrickxnhalten: grundlegende Ideen und Schreibweisen, Aussagenlogik, naive Mengenlehre, algebraische Strukturen, Zahlenmengen und analytische Geometrie. .978-3-642-28646-9Series ISSN 0937-7433 Series E-ISSN 2512-5214 作者: 盟軍 時(shí)間: 2025-3-26 15:36 作者: ACME 時(shí)間: 2025-3-26 18:32 作者: Indigence 時(shí)間: 2025-3-27 00:08
P. Hofmannite stellt. . Der Text zielt auf ein Verst?ndnis der Mathematik als Methode ab, erkl?rt die mathematische Sprache, allgemeine Prinzipien und Konventionen und macht das oft Implizite und Unausgesprochene offizie978-3-662-56805-7978-3-662-56806-4作者: prosthesis 時(shí)間: 2025-3-27 03:37 作者: 全面 時(shí)間: 2025-3-27 09:12 作者: OGLE 時(shí)間: 2025-3-27 11:59
The Electronic Structure of Transition Metal Atoms and Diatoms Through Pseudopotential Approaches,proached by comparing results obtained through pseudopotentials including or not mean relativistic terms. Special emphasis is put on the interplay between relativity and correlation effects on atomic spectra or on bond formation. Comparisons between pseudopotential and all electron approaches are also given.作者: 最高峰 時(shí)間: 2025-3-27 14:15 作者: 凝視 時(shí)間: 2025-3-27 20:21
,Xα Electronic Structure of Transition Metal Halides: Calculation of Ligand-Field Multiplet States, Karplus) is used to evaluate the Coulomb an exchange integrals in terms of the Griffith’s parameters. The energies of the ligand-field excited states of CrF.. and CrCl.. are thus predicted and compared with experiment.作者: 退出可食用 時(shí)間: 2025-3-27 21:56
Spectroscopic Studies of Copper Complexes,omplex arises from a weak interaction (0.36 eV) between ethylene and the copper atom in its d.s. configuration. Three bound excited states involving the d.p. configuration of the copper atom are considered. The calculated vertical transition energies are in good agreement with the observed UV-visible spectrum.作者: ACTIN 時(shí)間: 2025-3-28 02:37 作者: epidermis 時(shí)間: 2025-3-28 06:55 作者: 使人入神 時(shí)間: 2025-3-28 10:33
1389-2185 chemistry into a predictive tool for molecular systems involving only light elements. The situation appears less advanced for systems containing transition metal elements where specific difficulties arise, like those 1inked to the quasi-degeneracy of the lowest atomic states. Correlation effects, wh作者: Baffle 時(shí)間: 2025-3-28 18:19
Accurate Studies on the Structure and Reactivity of Transition Metal Complexes and Clusters,CuH.O and Ni(C.H.). with n=1, 2. The final application is concerned with the modelling of chemical reactions on transition metal surfaces. A strategy for choosing a proper effective core potential for the metal atoms is outlined. Preliminary results for O. dissociation on nickel clusters are presented.作者: indignant 時(shí)間: 2025-3-28 19:35
Correlation Effects in the Ground and Ionized States of Transition Metal Complexes,of bis(π-allyl)nickel have been compared with the ionization energies calculated using the extended-two-particle-hole Tamm-Dancoff method, which includes both relaxation and correlation effects. For all species studied, excellent agreement between theory and experiment is found, which, for bis(π-allyl)nickel, is absent for ASCF-CI calculations.作者: 痛得哭了 時(shí)間: 2025-3-29 02:45
Quantitative Results and Qualitative Analysis by the Hartree-Fock-Slater Transition State Method,extensive calculation schemes by forcing them to provide a qualitative analysis of the-(at best) quantitative results, and we present here a scheme, the generalized transition state method., by which quantitative (or at least extensive) calculations can be subjected to a qualitative analysis.作者: 組成 時(shí)間: 2025-3-29 03:34 作者: 平項(xiàng)山 時(shí)間: 2025-3-29 08:42 作者: Instinctive 時(shí)間: 2025-3-29 11:26
Accurate Studies on the Structure and Reactivity of Transition Metal Complexes and Clusters,of calculated binding energies. For NiH and NiO. comparison is made to molecular beam experiments. For NiCO. and NiCO comparisons are made to measurements of appearence potentials in fragmentation experiments. In the second application comparisons are made to matrix isolation experiments for NiH.o, 作者: 黑豹 時(shí)間: 2025-3-29 19:05 作者: addict 時(shí)間: 2025-3-29 20:50
The Electronic Structure of Transition Metal Atoms and Diatoms Through Pseudopotential Approaches,terrelated points of view, namely relativistic effects, correlation contributions and possible pseudopotential approaches. The relativity impact is approached by comparing results obtained through pseudopotentials including or not mean relativistic terms. Special emphasis is put on the interplay bet作者: chandel 時(shí)間: 2025-3-30 03:37
Spectroscopic Characterization of Bonding in Diatomics and Small Transition Metal Aggregates,hase aggregation or matrix isolation in solids at low temperature. The second part describes the spectroscopic methods involved in the characterization of such species with their possibilities illustrated by some results obtained in this field. We tentatively show how these techniques are yielding n作者: Osteoporosis 時(shí)間: 2025-3-30 05:10 作者: 細(xì)節(jié) 時(shí)間: 2025-3-30 12:03
Spectroscopic Studies of Copper Complexes,tes of ∑ symmetry dissociating into the d.s. and d.s. configurations were investigated for the copper-hydride molecule. Spectroscopic constants present an overall good agreement with experimental data. The complex behavior of the potential curves in the intermediate region is analyzed through a diab作者: CAB 時(shí)間: 2025-3-30 14:05
Scandium Atom Interacting with Diatomic Groups,mical bonding of Sc with three representative diatomic groups is studied theoretically. The interaction with CO leads to repulsive, moderately attractive and strongly attractive bondings according to the d.s., d.s. and d. atomic configurations of Sc respectively. The single radical electron of CN in作者: 痛苦一生 時(shí)間: 2025-3-30 19:53 作者: JIBE 時(shí)間: 2025-3-30 22:21
Correlation Effects in the Ground and Ionized States of Transition Metal Complexes,ecies a redistribution of electron density occurs increasing the density on the metal atom compared to that given by a RHP wavefunction. The valence ionization energies of Ni(CN).., Co(CN).. and Fe(CN).. have been measured using X-ray emission spectroscopy. These data and the photoelectron spectrum 作者: 意外 時(shí)間: 2025-3-31 03:11 作者: 無(wú)可爭(zhēng)辯 時(shí)間: 2025-3-31 08:11 作者: 煤渣 時(shí)間: 2025-3-31 11:44
Quantitative Results and Qualitative Analysis by the Hartree-Fock-Slater Transition State Method,of methods ranging from calculations on the back of an envelope to computations on mainframe computers. The qualitative “back of the envelope” type of calculations have clearly had a profound influence not only on the field of transition metal chemistry as a whole, but also on practitioners of more 作者: UNT 時(shí)間: 2025-3-31 15:32 作者: 被詛咒的人 時(shí)間: 2025-3-31 17:48 作者: 闡明 時(shí)間: 2025-3-31 23:08 作者: Fabric 時(shí)間: 2025-4-1 01:55
Topology of Potential Energy Surfaces: The Complementarity of mo and VB Approaches,CI calculations are compared with diabatic and adiabatic VB results for the system Na×+HF→ NaF + H. The efficiency of the VB approach, as well for a qualitative understanding of the reaction mechanism as for obtaining accurate data is outlined. The second example deals with the study of oxygen trans作者: Intend 時(shí)間: 2025-4-1 09:23
Applied MO Theory: Organometallic Structure and Reactivity Problems,problems, each representing a typical chapter of “applied” MG theory, closely related to experimental work. The examples chosen are: 1. the activation of carbon monoxide by biscyclopentadienyl derivatives of group 4 transition metals, and, 2. ligand coupling and cleavage processes in biscarbene and 作者: 大溝 時(shí)間: 2025-4-1 11:41
Book 1986into a predictive tool for molecular systems involving only light elements. The situation appears less advanced for systems containing transition metal elements where specific difficulties arise, like those 1inked to the quasi-degeneracy of the lowest atomic states. Correlation effects, which are im作者: ATP861 時(shí)間: 2025-4-1 16:50 作者: Phonophobia 時(shí)間: 2025-4-1 22:07
M. Pélissier,J. P. Daudey,J. P. Malrieu,G. H. Jeungeben Gesch?ftsvorf?lle, die eindeutig zu einer Ver?nderung auf einem. führen, ohne dass die korrespondierende Ver?nderung direkt gegeben ist. So führt die Bezahlung von L?hnen in bar eindeutig zu einer Minderung im Konto Kasse. Wo erfolgt aber die Gegenbuchung? Der Eingang der Miete für vermietete B作者: 大包裹 時(shí)間: 2025-4-2 00:56
M. Tranquilleie?lich BilRUG.Includes supplementary material: Das vorliegende Lehr- und Arbeitsbuch bietet eine umfassende Einführung in die Finanzbuchhaltung von Industrie- und Handelsunternehmen. Nach der Erl?uterung grundlegender Begriffe und der Buchungstechnik liegen Schwerpunkte auf der Behandlung praxisrel
