標(biāo)題: Titlebook: Quantum Systems in Chemistry and Physics; Volume 1: Basic Prob Alfonso Hernández-Laguna,Jean Maruani,Stephen Wils Book 2000 Springer Scienc [打印本頁] 作者: iniquity 時(shí)間: 2025-3-21 16:05
書目名稱Quantum Systems in Chemistry and Physics影響因子(影響力)
書目名稱Quantum Systems in Chemistry and Physics影響因子(影響力)學(xué)科排名
書目名稱Quantum Systems in Chemistry and Physics網(wǎng)絡(luò)公開度
書目名稱Quantum Systems in Chemistry and Physics網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱Quantum Systems in Chemistry and Physics被引頻次
書目名稱Quantum Systems in Chemistry and Physics被引頻次學(xué)科排名
書目名稱Quantum Systems in Chemistry and Physics年度引用
書目名稱Quantum Systems in Chemistry and Physics年度引用學(xué)科排名
書目名稱Quantum Systems in Chemistry and Physics讀者反饋
書目名稱Quantum Systems in Chemistry and Physics讀者反饋學(xué)科排名
作者: 起波瀾 時(shí)間: 2025-3-21 20:28 作者: Lignans 時(shí)間: 2025-3-22 01:15 作者: Mendicant 時(shí)間: 2025-3-22 06:36 作者: 名字 時(shí)間: 2025-3-22 11:39
Alexis Markovits,Philippe Sonnet,Louise Stauffer,Christian Minotst systems 4 and 5 with closely spaced webs are intended for bridges with tall piers. At points where the carriageway widens, either the web spacing is kept constant and the spans of the cantilever slabs varied, Fig. 4, or else the spans of the cantilever arms are kept constant.作者: 俗艷 時(shí)間: 2025-3-22 16:42 作者: preservative 時(shí)間: 2025-3-22 17:06
Accurate Density-Functional Calculation of Core XPS Spectra: Simulating Chemisorption and Intermolec0.5 to 1.0 eV. In the present paper, we describe recent procedures of computing accurate Core-Electron Binding Energies (CEBEs) via Density Functional Theory (DFT). The procedures have been tested on numerous small (3–6 atoms) to fairly large (15–25 atoms) systems, and afford computed CEBEs in excel作者: 你不公正 時(shí)間: 2025-3-23 00:54 作者: RACE 時(shí)間: 2025-3-23 05:21
Reactivity at Silicon Surfaces Si(100) 2×2 and Si(111) 7×79 DBs remain that can be classified into 7 sets (12 adatoms A, A′, B and B′, 6 restatoms R and R′ and one corner atom). They are characterised by crystal orbitals of different energies. Some of them are occupied and other are vacant. This monitors the adsorption of atoms. The H adsorption, controlle作者: Ambiguous 時(shí)間: 2025-3-23 06:16 作者: 遺產(chǎn) 時(shí)間: 2025-3-23 10:54
Electro-Nuclear Quantum Mechanics Beyond the Born-Oppenheimer Approximation. Towards a Quantum Electa universal electronic functional. This electronic functional allows for a correlate with the density functional theory. In the context of this formalism, it is shown that a Hellmann-Feynman theorem holds. Pictorially speaking, one may think of nuclei fluctuating and having different geometric confi作者: 無孔 時(shí)間: 2025-3-23 16:51 作者: 信任 時(shí)間: 2025-3-23 21:05
Book 2000McWeeny in San Miniato, Pisa (Italy), 1996, and by Prof. S. Wilson in Oxford (United Kingdom), 1997. These workshops create occasions for meetings and disc- sions on the current state of the art, emerging methods and applications and new trends in this area of science. The three meetings were sponso作者: Confirm 時(shí)間: 2025-3-24 01:06 作者: 構(gòu)想 時(shí)間: 2025-3-24 05:32
Jesús Martinez-Linares,David A. Harminnts. This book is ideally suited to researchers and graduate students seeking a coherent view of current perspectives on embryogenesis and endosperm development in flowering plants..978-3-642-06616-0978-3-540-27792-7作者: 冰河期 時(shí)間: 2025-3-24 07:32 作者: cognizant 時(shí)間: 2025-3-24 11:47
D. E. Parrynts. This book is ideally suited to researchers and graduate students seeking a coherent view of current perspectives on embryogenesis and endosperm development in flowering plants..978-3-642-06616-0978-3-540-27792-7作者: 抵制 時(shí)間: 2025-3-24 18:35 作者: 憤慨一下 時(shí)間: 2025-3-24 20:41 作者: 只有 時(shí)間: 2025-3-25 01:39
O. Tapiantries Brings back only what he takes, So shall the scope of my foreknowledge Measure the depth of their pro?t and charm to me.978-1-85233-751-3978-1-84628-180-8Series ISSN 1611-7360 Series E-ISSN 2197-6546 作者: ungainly 時(shí)間: 2025-3-25 05:10 作者: Lasting 時(shí)間: 2025-3-25 09:08
Marcin Hoffmann,Jacek Rychlewskintries Brings back only what he takes, So shall the scope of my foreknowledge Measure the depth of their pro?t and charm to me.978-1-85233-751-3978-1-84628-180-8Series ISSN 1611-7360 Series E-ISSN 2197-6546 作者: antedate 時(shí)間: 2025-3-25 14:48 作者: Palliation 時(shí)間: 2025-3-25 18:35
O. Parisel,D. Talbintries Brings back only what he takes, So shall the scope of my foreknowledge Measure the depth of their pro?t and charm to me.978-1-85233-751-3978-1-84628-180-8Series ISSN 1611-7360 Series E-ISSN 2197-6546 作者: 邊緣 時(shí)間: 2025-3-25 22:25 作者: capsaicin 時(shí)間: 2025-3-26 03:10
D. Moncrieff,S. Wilsonntries Brings back only what he takes, So shall the scope of my foreknowledge Measure the depth of their pro?t and charm to me.978-1-85233-751-3978-1-84628-180-8Series ISSN 1611-7360 Series E-ISSN 2197-6546 作者: Malcontent 時(shí)間: 2025-3-26 06:38
J. A. Dobado,Henar Martínez-García,José Molina,Markku R. Sundbergntries Brings back only what he takes, So shall the scope of my foreknowledge Measure the depth of their pro?t and charm to me.978-1-85233-751-3978-1-84628-180-8Series ISSN 1611-7360 Series E-ISSN 2197-6546 作者: 增減字母法 時(shí)間: 2025-3-26 09:25 作者: 褻瀆 時(shí)間: 2025-3-26 13:45 作者: 懶惰民族 時(shí)間: 2025-3-26 18:50 作者: COMMA 時(shí)間: 2025-3-26 22:24
Duality in Two-Ways Interferometers: the Symmetric Quanton-Detecton Systems. Quantum entanglement is also at the core of the duality principle relating fringe visibility and acquisition of which way information in a two-ways interferometer. We present here a quantum logic gate — the Symmetric Quanton-Detecton System, for which each qubit can play the role of quanton or wh作者: 聚集 時(shí)間: 2025-3-27 03:19 作者: 記成螞蟻 時(shí)間: 2025-3-27 07:39
Propagator Calculations for Large Molecules: Determination of Transition Eigenvalues with a Subspacegies is extended to larger molecules than hitherto, through investigation of a diagonal approximation to the interactions between satellite configurations. The sparse ‘a(chǎn)rrowhead’ structure thereby introduced to each Hermitian interaction matrix is then exploited by development of a ‘subspace bisecti作者: stress-response 時(shí)間: 2025-3-27 12:34 作者: 貪婪性 時(shí)間: 2025-3-27 16:15
SCF, CI and DFT Charge Transfers and XPS Chemical Shifts in Fluorinated Compounds shift of its nucleus resonance or the XPS energy shifts of its core-level spectrum. We have made a systematic investigation of the correlations between theoretical XPS chemical shifts in simple fluorine compounds of elements of the first rows and SCF, CI and DFT transferred net charges (according t作者: 好忠告人 時(shí)間: 2025-3-27 21:11 作者: 傳染 時(shí)間: 2025-3-28 00:57
Shell-like Features and Charge Localization in Protonated Helium Clusters: a Density Functional Studng their overall electronic stability as . is increased..The calculations have been carried out using the Density Functional Theory (DFT) approach to treat the correlation and exchange parts of the Hartree-Fock interaction. Comparison with the results at the lower . values (.≤4) with the earlier, fu作者: 突變 時(shí)間: 2025-3-28 05:15
Bond Elongation and Charge Transfer in Diatomic Molecules Interacting with Metal Clusters: H2/Ni andcally. Calculations are performed on H./Ni and O./Pt and systems using both SCF-MO and DFT methods. Results show that the most stable (minimal-energy) molecule-cluster structures are those undergoing the largest charge transfer from the cluster to the molecule and largest bond elongation of the mole作者: Dissonance 時(shí)間: 2025-3-28 07:02 作者: finale 時(shí)間: 2025-3-28 11:58
DFT Modeling of Stark-Tuning Effect: CO on Polarized Pd(100) as a Probe for Double-Layer Electrostatccounting for the production of grafted films in electropolymerization reactions. With the ultimate purpose of evaluating these lifetimes, we propose a one-dimensional model taking into account the interface bond, the anion/metallic surface image charge potential, and the anion/polarized-surface ele作者: macabre 時(shí)間: 2025-3-28 18:11
Electro-Nuclear Quantum Mechanics Beyond the Born-Oppenheimer Approximation. Towards a Quantum Elects nuclear configurations. The set of continuous and discrete symmetries, these latter related to a stationary nuclear configuration whenever it is the case, lay down the framework to bracket a Hilbert space describing the system. While the expectation value of the molecular hamiltonian (including th作者: dura-mater 時(shí)間: 2025-3-28 21:47
Modeling of the Reaction of Azathioprine with the Hydroxide Anionttack on the azathioprine molecule. DFT and ab-initio approaches have been applied to model the reaction of azathioprine with a simple nucleophile i.e. hydroxide anion. Quantum mechanical methods allowed to propose a detailed mechanism for the reaction of isolated molecule of azathioprine with hydro作者: 小丑 時(shí)間: 2025-3-29 00:19 作者: 漸變 時(shí)間: 2025-3-29 06:18 作者: hankering 時(shí)間: 2025-3-29 09:49 作者: 背信 時(shí)間: 2025-3-29 11:53 作者: Monolithic 時(shí)間: 2025-3-29 16:45 作者: Deadpan 時(shí)間: 2025-3-29 21:53 作者: PANEL 時(shí)間: 2025-3-30 00:54 作者: indecipherable 時(shí)間: 2025-3-30 07:21
1567-7354 ystems in Chemistry and Physics, held in Granada (Spain), April 19–22, 1998. Ninety-nine scientists from Bulgaria, Columbia, Cuba, Denmark, Finland, France, Germany, Hungary, Israel, Italy, Mexico, Netherlands, Norway, Poland, Russia, Slovakia, Spain, Sweden, United Ki- dom, Uruguay and Venezuela at作者: phase-2-enzyme 時(shí)間: 2025-3-30 09:25
Duality in Two-Ways Interferometers: the Symmetric Quanton-Detecton System interferometer. We present here a quantum logic gate — the Symmetric Quanton-Detecton System, for which each qubit can play the role of quanton or which-way detector. Applying the results of Englert [Phys. Rev. Lett. ., 2154 (1996).] we derive a pair of coupled duality relations for the system.作者: SNEER 時(shí)間: 2025-3-30 16:19
Diffusion Monte-Carlo Calculations of Quasi-Bound States of Rare Gas-Halogen Clusters: a Diabatic Apated for both clusters with the two methods. From the comparison of the results numerically obtained we conclude that the DMC method is a good way to determine the ground energy and the corresponding distributions of these complexes, in order to use them as initial states for a dynamical calculation.作者: Gorilla 時(shí)間: 2025-3-30 17:58
Bond Elongation and Charge Transfer in Diatomic Molecules Interacting with Metal Clusters: H2/Ni and molecule-cluster structures are those undergoing the largest charge transfer from the cluster to the molecule and largest bond elongation of the molecule itself, suggesting a weakening of the bond through the interaction with the cluster.作者: buoyant 時(shí)間: 2025-3-30 23:07
Modeling of the Reaction of Azathioprine with the Hydroxide Anion. hydroxide anion. Quantum mechanical methods allowed to propose a detailed mechanism for the reaction of isolated molecule of azathioprine with hydroxide anion and thus suggest the more general mechanism for the reaction of azathioprine with nucleophiles.作者: creatine-kinase 時(shí)間: 2025-3-31 04:41 作者: 值得 時(shí)間: 2025-3-31 08:50 作者: 通知 時(shí)間: 2025-3-31 09:43 作者: 詳細(xì)目錄 時(shí)間: 2025-3-31 14:37 作者: liaison 時(shí)間: 2025-3-31 18:13
A Theoretical Study of the OH Radical Addition to the Xylenesnd the energy barriers for their formation are comparable to the ones for the addition at the other positions. As far as we know, except for . xylene, these adducts have not been considered in previous experimental work. Results of B3LYP calculations at the MP2 optimized geometries are also reported. Trends with the two methods agree well.
