作者: reptile 時(shí)間: 2025-3-21 21:42 作者: 存在主義 時(shí)間: 2025-3-22 00:38 作者: 最高峰 時(shí)間: 2025-3-22 07:54
Clean and Modified Oxide Surfaces: Structure and Dynamics of Absorbed Molecules,cific aspects include:.Methods applied include electron spectroscopies for electronic structure studies as well as vibrational excitations, infrared spectroscopy, thermal desorption and related methods.作者: 是比賽 時(shí)間: 2025-3-22 08:49
Book 1996ields of study themselves, the papers also bringout those aspects that impinge on, or could benefit from, progress inother disciplines. Refined in the fire of an interactive andstimulating conference, the papers presented here represent the stateof the art of current research.作者: penance 時(shí)間: 2025-3-22 15:40 作者: cathartic 時(shí)間: 2025-3-22 17:15
Book 1996 and computationalapproaches needed to establish the concepts and guide the experiments..Leading experts present masterly surveys of: clusters, inorganiccomplexes, surfaces, catalysis, .ab initio. theory, densityfunctional theory,semiempirical methods, and dynamics. Besides thepresentations of the f作者: 貪婪地吃 時(shí)間: 2025-3-22 22:30
Density Functional Modeling of Ligand-Metal Interactions and Enzymatic Activities in Metalloenzymesd results and the available experimental data suggest that DFT calculations that include non-local corrections are practical for describing large biological systems where hydrogen-bonding and proton transfer are important.作者: 多節(jié) 時(shí)間: 2025-3-23 02:44
Progress Towards a Molecular Surface Science: Dative Interactions in Chemistry at Metal Centres as omplexes; and, some preliminary measurements of the dynamics of photo- and thermal desorption of ligands from cluster-ligand complexes. The importance of studies at temperatures close to ambient is emphasized.作者: 下邊深陷 時(shí)間: 2025-3-23 08:19
Metal-Ligand Interactions in Gas Phase and in Solution. The Density Functional Point of View,rimental data for a large number of significant chemical parameters and properties. The systems examined are cis- and trans-PtCl.(NH.).), Ni(PH.).HPPH and Ni(PH.).C0. complexes. For all the systems, in addition to the in vacuo calculations the effects of the solvent have been taken into account.作者: Mendicant 時(shí)間: 2025-3-23 10:52
F. Calderoni,M. C. Iapalucci,G. Longonith ggplot2 and fit data to models using modelr.Who This Book Is For.Programmers new to R‘s data science, data mining, and analytics packages.? Some prior coding experience with R in general is recommended.??.978-1-4842-8779-8978-1-4842-8780-4作者: exercise 時(shí)間: 2025-3-23 14:31
Giovanni de Munno,Miguel Julvee advantage of flow control and conditional statements.Work with packages such as base, stats, and graphics.Who This Book Is For.Those with programming experience, either new to R, or thos978-1-4842-7923-6978-1-4842-7924-3作者: expire 時(shí)間: 2025-3-23 19:42 作者: milligram 時(shí)間: 2025-3-23 22:12
Richard J. Puddephatt,Jianliang Xiaox approach, demonstrating and explaining Bayesian methods alongside traditional analyses for analysis of variance, linear models, and metric and choice-based conjoint analysis.. .With its emphasis on data visua978-3-030-14315-2978-3-030-14316-9Series ISSN 2197-5736 Series E-ISSN 2197-5744 作者: muffler 時(shí)間: 2025-3-24 03:37 作者: 繁重 時(shí)間: 2025-3-24 10:17
Guided-Ion Beam Studies of Ionic Transition Metal Clusters and Complexes,lexes including most of the first row transition metal cations with CO and H.O ligands. The sequential bond energies for many of these complexes vary nonmonotonically, an observation that can be explained in terms of changes in the electronic structure at the metal center.作者: Notorious 時(shí)間: 2025-3-24 11:26
Influence of Silyl Ligands on the Reactivity of Heterobimetallic Complexes: Insertion and Migrationolyketone chains. In the presence of phosphine ligands, migration of the silyl ligand to the acyl oxygen was observed, resulting in bridging siloxycarbenes. When the -Si(OMe). ligand was replaced with the siloxyl, -Si(OSiMe.)., the corresponding siloxycarbenes were formed spontaneously upon reaction作者: 過份好問 時(shí)間: 2025-3-24 15:39
Ligand-Metal Surface Interactions: Synthesis, Structure and Reactivity,lational energy of the incident molecule that is important in sunnounting this barrier and not the surface temperature, the rate of the reaction is limited by the flux of incident molecules with energies above the energy of the barrier. High pressures simply increase the absolute number (not the fra作者: Hallowed 時(shí)間: 2025-3-24 20:43
,2,2’Bipyrimidine: A Useful Tool in Designing Polynuclear Complexes of Controlled Nuclearity,, Ni(II), Cu(II) and Zn(II). A simple orbital model is used to analyze die efficiency of bridging bpym to transmit electronic effects between paramagnetic centres separated from each other by more than 5 ?.作者: 革新 時(shí)間: 2025-3-25 00:36
Influence of Particle Size on Metallic and Bimetallic Supported Catalysts: Hydrogenolysis of Hydroc by the results of the adsorption of carbon monoxide followed by infrared spectrometry, and by quantum chemical calculations. The results of hydrogenolysis can then be rationalized without any help of electronic factors, because the slow step is not controlled by electron transfer. By contrast, in t作者: 過渡時(shí)期 時(shí)間: 2025-3-25 06:06
Site and Size Effects on the Binding Energy of CO on Palladium Clusters, the on-top, bridge and 4-fold sites. On the other side, the calculated adsorption energy on the 3-fold site reproduces the experimental data observed on small Pd. clusters or on weakly constructed surfaces. We conclude that the measured larger binding energy on small palladium clusters has essentia作者: grandiose 時(shí)間: 2025-3-25 09:47
Theoretical Dynamical Studies of Metal Clusters and Cluster-Ligand Systems,the details emphasized by the different disciplines are dictated by the nature of the objects studied and may not, therefore, be identical. For example, questions regarding structures, isomerization transitions, fluxionality or even melting of metal clusters refer to the state and properties of the 作者: LAITY 時(shí)間: 2025-3-25 14:55 作者: Ejaculate 時(shí)間: 2025-3-25 19:32 作者: FLIP 時(shí)間: 2025-3-25 20:16 作者: 禁止,切斷 時(shí)間: 2025-3-26 01:56
Y. G. Abashkin,S. K. Burt,J. R. Collins,R. E. Cachau,N. Russo,J. W. Ericksonnfluence the state of competition in an industry by providing additional profit op- portunities, etc. The same is true for exogenous changes in upstream markets978-3-7908-0900-8978-3-642-95925-7Series ISSN 1431-1933 Series E-ISSN 2197-7178 作者: hemoglobin 時(shí)間: 2025-3-26 06:46 作者: Ganglion 時(shí)間: 2025-3-26 08:41 作者: Pruritus 時(shí)間: 2025-3-26 13:18
P. Braunstein,M. Knorrs with R for data science, data mining, and analytics-based applications.Visualize data with ggplot2 and fit data to models using modelr.Who This Book Is For.Programmers new to R‘s data science, data mining, and analytics packages.? Some prior coding experience with R in general is recommended.??.作者: 轉(zhuǎn)向 時(shí)間: 2025-3-26 20:08
S. T. CeyerImport/export data and create new data objects in R.Create descriptive functions and manipulate objects in R.Take advantage of flow control and conditional statements.Work with packages such as base, stats, and graphics.Who This Book Is For.Those with programming experience, either new to R, or thos作者: BLA 時(shí)間: 2025-3-26 21:14
F. Figueras,B. CoqImport/export data and create new data objects in R.Create descriptive functions and manipulate objects in R.Take advantage of flow control and conditional statements.Work with packages such as base, stats, and graphics.Who This Book Is For.Those with programming experience, either new to R, or thos作者: 停止償付 時(shí)間: 2025-3-27 02:20
Hans-Joachim FreundImport/export data and create new data objects in R.Create descriptive functions and manipulate objects in R.Take advantage of flow control and conditional statements.Work with packages such as base, stats, and graphics.Who This Book Is For.Those with programming experience, either new to R, or thos作者: 小畫像 時(shí)間: 2025-3-27 07:30
V. Goncalvès,C. MijouleImport/export data and create new data objects in R.Create descriptive functions and manipulate objects in R.Take advantage of flow control and conditional statements.Work with packages such as base, stats, and graphics.Who This Book Is For.Those with programming experience, either new to R, or thos作者: 褻瀆 時(shí)間: 2025-3-27 12:50 作者: LAIR 時(shí)間: 2025-3-27 13:38 作者: PACT 時(shí)間: 2025-3-27 18:22
N. Neshev,T. Z. Minevaconjoint analysis in R. The text uniquely presents Bayesian models with a minimally complex approach, demonstrating and explaining Bayesian methods alongside traditional analyses for analysis of variance, linear models, and metric and choice-based conjoint analysis.. .With its emphasis on data visua作者: construct 時(shí)間: 2025-3-27 23:36 作者: 郊外 時(shí)間: 2025-3-28 03:51
N. Russo,M. Toscano,T. Minevaconjoint analysis in R. The text uniquely presents Bayesian models with a minimally complex approach, demonstrating and explaining Bayesian methods alongside traditional analyses for analysis of variance, linear models, and metric and choice-based conjoint analysis.. .With its emphasis on data visua作者: conceal 時(shí)間: 2025-3-28 07:23
Michael C. Zernermultiple independent variables. ., as the name implies, assumes that the relationships between the independent and dependent variables are .. Thus, a constant unit of change in one of the variables implies a constant unit of change in the other. On the other hand, unlike the linear regression that u作者: 陳腐思想 時(shí)間: 2025-3-28 13:49
pect the program to behave while handling the data, which can also be stored in the simple object system. Therefore, this book serves as both textbook and manual for R statistics particularly in academic research, data analytics, and computer programming targeted to help inform and guide the work of作者: 偏見 時(shí)間: 2025-3-28 16:43
Density Functional Modeling of Ligand-Metal Interactions and Enzymatic Activities in Metalloenzymesendent metalloenzyme, carboxypeptidase A (CPA). A constrained optimization technique that can be considered a walking uphill process was used to locate transition states and to determine the complete reaction profile for peptide bond hydrolysis of a model substrate. In contrast to previous theoretic作者: 感情 時(shí)間: 2025-3-28 20:23
Guided-Ion Beam Studies of Ionic Transition Metal Clusters and Complexes,ods allow the chemistry of such species to be studied as a function of collision energy, thereby providing a wide range of thermochemical data. Binding energies for cationic clusters of two to about twenty transition metal atoms of titanium, vanadium, chromium, iron, cobalt, nickel, and niobium have作者: MORT 時(shí)間: 2025-3-29 00:58
Influence of Silyl Ligands on the Reactivity of Heterobimetallic Complexes: Insertion and Migrationexes containing a trialkoxysilyl or a siloxyl ligand could be prepared and their reactivity investigated. In the dppm complexes, a new bridging environment was encountered for the -Si(OMe). ligand which forms a strong σ-bond with Fe and a more labile, dative interaction with Pd or Pt through an oxyg作者: Dorsal-Kyphosis 時(shí)間: 2025-3-29 05:25 作者: 相反放置 時(shí)間: 2025-3-29 07:32 作者: 安定 時(shí)間: 2025-3-29 11:28 作者: 挑剔為人 時(shí)間: 2025-3-29 19:18
Influence of Particle Size on Metallic and Bimetallic Supported Catalysts: Hydrogenolysis of Hydrocersed alloys of known composition. The determination of the properties of the pure metals as a function of particle size gives information on the influence of the coordination of surface atoms on catalytic properties. For the hydrogenolysis of 2,2,3,3-tetramethylbutane at high hydrogen pressure a go作者: 存在主義 時(shí)間: 2025-3-29 22:53
Quantum Mechanical AB Initio Investigation of Metal-Ligand Interactions in Transition-Metal Carbonyomplexes of group 6, 8 and 10 elements are discussed. The geometries are optimized at the MP2 level of theory using valence basis sets of DZ+P quality. The bond dissociation energies are predicted at the CCSD(T) level of theory. The theoritical data are generally in good agreement with experimental 作者: 發(fā)牢騷 時(shí)間: 2025-3-30 03:14 作者: adulterant 時(shí)間: 2025-3-30 05:03 作者: Precursor 時(shí)間: 2025-3-30 09:46 作者: 脆弱吧 時(shí)間: 2025-3-30 14:53
Theoretical Dynamical Studies of Metal Clusters and Cluster-Ligand Systems, the rapidly developing field of cluster research. In what follows we use the term .to designate a cohesive group of like atoms (molecules), i.e., bare (“neet”, “naked”) clusters. More generally, the term is also used for organo- and inorganometallic compounds, i.e., ligated clusters. Although the a作者: 搖晃 時(shí)間: 2025-3-30 17:14 作者: 清唱?jiǎng)?nbsp; 時(shí)間: 2025-3-31 00:42
Coordinatively Unsaturated Pt and Pt-Re Clusters as Models for Surfaces and Bimetallic Catalysts,on and catalysis are outlined. The use of coordinatively unsaturated Pt. and Pt.Re clusters as models for reactions in supported platinum or bimetallic platinum-rhenium catalysts is then outlined. Platinum-rhenium clusters are shown to have unique reactivity, particularly in sulfur or oxygen atom ad作者: 故意 時(shí)間: 2025-3-31 01:39
Molecular Adsorption of Diazirine on Palladium (110) Cluster Models Using the LCGTO-MCP-LSD Method,The optimization of the geometry of free diazirine gives bond lengths and bond angles which are in very good agreement with experimental values. The molecular adsorption of diazirine was investigated first on a Pd. cluster in order to estimate the equilibrium Pd-N distance for the unidimensional dis作者: 談判 時(shí)間: 2025-3-31 06:26
Metal-Ligand Interactions in Gas Phase and in Solution. The Density Functional Point of View, reviewed and used to study metal-ligand interactions within particular systems. The appeal of the method lies in the general good agreement with experimental data for a large number of significant chemical parameters and properties. The systems examined are cis- and trans-PtCl.(NH.).), Ni(PH.).HPPH作者: 成績上升 時(shí)間: 2025-3-31 11:42
AB Initio Calculations of Electronic Surface States of Transition Metal Oxides and of the Superexchtates of two classes of transition metal-oxygen compounds. The first subject are cluster calculations for local . — . excitations of transition metal oxides both in the bulk and at different surfaces. With the help of these calculations it has been possible to unambiguously identify and assign sever作者: inferno 時(shí)間: 2025-3-31 13:58
Intermediate Neglect of Differential Overlap Calculations on the Electronic Spectra of Transition Mused for many years to describe the electronic spectraand photochemistry of large systems, (2) the description of how one might calculate electronic spectroscopy,and finally, (3) the electronic structure of transition metal complexes, per se. I should like to begin with the third of these, which is 作者: 輕浮思想 時(shí)間: 2025-3-31 21:14
terized in that theory, do not supervene locally on inner non-intentional states of the subject and, thus, that individualism is false in Marr’s theory. As it is well known, according to mental local supervenience, if two psychological subjects share all their non-intentional inner physical properti作者: Mediocre 時(shí)間: 2025-3-31 22:29
Y. G. Abashkin,S. K. Burt,J. R. Collins,R. E. Cachau,N. Russo,J. W. Ericksonis interaction technological competition. Firms invest into R&D in order to open up new or enlarge existing profit opportuni- ties for the future. A successful R&D-project leads to an innovation. An innovation introduced into the market changes the competitive structure of the industry. At the same 作者: JEER 時(shí)間: 2025-4-1 04:50
P. B. Armentrouttion technological competition. Firms invest into R&D in order to open up new or enlarge existing profit opportuni- ties for the future. A successful R&D-project leads to an innovation. An innovation introduced into the market changes the competitive structure of the industry. At the same time the s
