標(biāo)題: Titlebook: Advances in the Theory of Atomic and Molecular Systems; Dynamics, Spectrosco Piotr Piecuch,Jean Maruani,Stephen Wilson Book 2009 Springer S [打印本頁] 作者: 非決定性 時(shí)間: 2025-3-21 19:45
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書目名稱Advances in the Theory of Atomic and Molecular Systems被引頻次
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書目名稱Advances in the Theory of Atomic and Molecular Systems讀者反饋
書目名稱Advances in the Theory of Atomic and Molecular Systems讀者反饋學(xué)科排名
作者: anthesis 時(shí)間: 2025-3-21 20:42 作者: 捐助 時(shí)間: 2025-3-22 01:25
On the Differential Cross Sections in Complex-Forming Atom–Diatom Reactive Collisionsparticular, a symmetrical profile of the angular distribution about the sideways scattering direction (θ ≈ 90°) with prominent peaks for the forward (θ ≈ 0°) and backward peaks (θ ≈ 180° is commonly associated with reactions which proceed via the formation of an intermediate complex. In this work we作者: 平 時(shí)間: 2025-3-22 08:08
Shared Memory Parallelization of the Multiconfiguration Time-Dependent Hartree Method and Applicatioation scheme based on a scheduler–worker approach is introduced. The performance of the parallel code is evaluated by benchmark tests. Using the parallelized version of the MCTDH code, the infrared absorption spectrum of the protonated water dimer . is simulated in full dimensionality (15D) in the s作者: 虛弱的神經(jīng) 時(shí)間: 2025-3-22 12:32 作者: myriad 時(shí)間: 2025-3-22 15:58
Theoretical Spectroscopy of Inner-Shell Electronic Processes and Photochemistry of Fluorescent Molec-emitting diodes (OLED) and biological chemosensors. Wide varieties of the core-electronic processes such as core-electron ionizations, shake-up satellites, vibrational excitations, valence–Rydberg coupling, and its thermal effect have been investigated by the SAC-CI calculations. The method has als作者: Tractable 時(shí)間: 2025-3-22 20:34
Electron-β-Nuclear Spectroscopy of Atoms and Molecules and Chemical Bond Effect on the β-Decay Paramd by the nuclear reactions and β-decay. The relativistic many-body perturbation theory (PT) with the optimized Dirac–Kohn–Sham (DKS) zeroth approximation is used to calculate the β-decay parameters for a number of allowed (superallowed) transitions (.P–.S, .Pu–.Am, etc.) and study a chemical bond ef作者: Abutment 時(shí)間: 2025-3-23 00:51 作者: 爆炸 時(shí)間: 2025-3-23 01:27 作者: HERE 時(shí)間: 2025-3-23 06:17 作者: 相互影響 時(shí)間: 2025-3-23 10:33
Influence of the Level of Protonation on the Geometry and the Electronic Structure of Emeraldine Oliucture of polarons and bipolarons with account of the solvent effect has not been exhausted. Alongside with conductivity, the optical and magnetic properties of the polymer related to its practical application could be rationalized by the elucidation of this problem. The purpose of this chapter is t作者: regale 時(shí)間: 2025-3-23 15:21 作者: Glucocorticoids 時(shí)間: 2025-3-23 19:32 作者: expansive 時(shí)間: 2025-3-23 23:45
Quantum Theory in Terms of Cumulant Variablesmolecular vibrations, (3) quantum tunneling in quantum well, and (4) proton-transfer reactions in DNA base pairs. The results are quite useful for understanding underlying quantum nature of these systems of interests.作者: 流眼淚 時(shí)間: 2025-3-24 03:49
Structural Properties and Torsional Dynamics of Peroxides and Persulfidesermolecular interactions, of specific importance for collisional chirality exchange, an exploration was done for both H.O.– and H.S.–rare gases systems, extending the joint experimental and theoretical approach already tackled in this laboratory for interactions of H.O and H.S with the rare gases.作者: Deceit 時(shí)間: 2025-3-24 10:24 作者: fulmination 時(shí)間: 2025-3-24 11:11
Quantum Chemical Approach to Interatomic Decay Rates in Clustersre determined by an interplay between the electronic decay process and the nucleardynamics. Key to the reliable prediction of the observable quantities is the knowledge of the time scale of the interatomic decay. Here we review the recent progress in the development of ab initio quantum chemical met作者: amplitude 時(shí)間: 2025-3-24 18:51
Level-Structure and Magnetic Properties from One-Electron Atoms to Clusters with Delocalized Electroation and compared with a new model we introduce to rationalize the significantly different level structure we observe for the high-spin. This structure turns out to be related to the eigenstates of the harmonic oscillator, a feature known from the description of single-particle states in quantum do作者: Affiliation 時(shí)間: 2025-3-24 22:33
1567-7354 udents, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering..978-94-007-3052-6978-90-481-2985-0Series ISSN 1567-7354 Series E-ISSN 2215-0129 作者: intention 時(shí)間: 2025-3-25 02:50 作者: 售穴 時(shí)間: 2025-3-25 04:49
Stephen J. Ball,Sarah Bignold,Alan Cribbermolecular interactions, of specific importance for collisional chirality exchange, an exploration was done for both H.O.– and H.S.–rare gases systems, extending the joint experimental and theoretical approach already tackled in this laboratory for interactions of H.O and H.S with the rare gases.作者: 品牌 時(shí)間: 2025-3-25 08:46
The Good Death: Attitudes of British Hindusnd β-decay channel and some other accompanying effects. The estimated values of .. for the tritium β-decay and free triton decay are (..).=12.26 years (correction due to the electron-atomic effects (Δ ../..).=0.82%) for the tritium atom and (..).=12.36 years for the triton decay. These data are in p作者: 慌張 時(shí)間: 2025-3-25 11:40 作者: 翅膀拍動(dòng) 時(shí)間: 2025-3-25 18:32
https://doi.org/10.1007/978-3-319-46648-4ation and compared with a new model we introduce to rationalize the significantly different level structure we observe for the high-spin. This structure turns out to be related to the eigenstates of the harmonic oscillator, a feature known from the description of single-particle states in quantum do作者: BULLY 時(shí)間: 2025-3-25 21:49 作者: dyspareunia 時(shí)間: 2025-3-26 02:22
Contemporary Performance InterActions). Various structural parameters: bond lengths, valence, and torsion angles, were analyzed and compared. The distribution of Mulliken and NBO charge density and Mulliken atomic spin density was discussed.作者: murmur 時(shí)間: 2025-3-26 04:29
Influence of the Level of Protonation on the Geometry and the Electronic Structure of Emeraldine Oli). Various structural parameters: bond lengths, valence, and torsion angles, were analyzed and compared. The distribution of Mulliken and NBO charge density and Mulliken atomic spin density was discussed.作者: 教唆 時(shí)間: 2025-3-26 10:51
On the Differential Cross Sections in Complex-Forming Atom–Diatom Reactive Collisions make an overview of the theoretical foundations on this assumption, originally proposed within the framework of nuclear physics and subsequently adopted in the study of molecular reactions. Examples of recent investigations on different atom–diatom processes are shown.作者: HEED 時(shí)間: 2025-3-26 15:17
Shared Memory Parallelization of the Multiconfiguration Time-Dependent Hartree Method and Applicatiopectral range 0–4,000 cm.. The middle spectral region, between 800 and 2,000 wavenumbers, is discussed and the couplings that shape this region of the spectrum are identified and explained, and the corresponding spectral lines are assigned.作者: 奴才 時(shí)間: 2025-3-26 19:30
Theoretical Spectroscopy of Inner-Shell Electronic Processes and Photochemistry of Fluorescent Moleco been applied to the electronic spectra and the excited-state dynamics of the polymer materials of OLED such as poly .-phenylene vinylene and fluorene-thiophene. The photochemistry of the biological chemosensor has been elucidated in particular for the photo-induced electron transfer mechanism of the acridine-type fluorescent probe.作者: flaunt 時(shí)間: 2025-3-27 00:16
Book 2009ures and Complex Systems”...This volume is an invaluable resource for faculty, graduate students, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering..作者: 遠(yuǎn)足 時(shí)間: 2025-3-27 03:22
Palgrave Studies in Impact Financeand momenta are simultaneously altered to achieve an improved description of nonadiabatic events. This optimal spawning procedure reduces to simpler approaches such as the strict momentum jump in appropriate limits, but is sufficiently flexible to describe cases where both position and momentum adjustments are important.作者: 是剝皮 時(shí)間: 2025-3-27 08:13 作者: contradict 時(shí)間: 2025-3-27 09:51
1567-7354 stems.Provides a timely update to a spectrum of theoretical .Advances in the Theory of Atomic and Molecular Systems, is a collection of contributions presenting recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of at作者: 止痛藥 時(shí)間: 2025-3-27 14:39 作者: 惰性女人 時(shí)間: 2025-3-27 19:44
https://doi.org/10.1057/978-1-137-51537-7ystem. The non-equilibrium conditions enable electronic transitions that are otherwise forbidden. The implemented methodology uses the Keldysh contour formalism to express the electronic equations of motion. The related time correlation Green Functions are then solved for in the full frequency representation and at the linear response level.作者: ARCHE 時(shí)間: 2025-3-27 23:26 作者: KIN 時(shí)間: 2025-3-28 05:08 作者: 使高興 時(shí)間: 2025-3-28 07:14 作者: 喧鬧 時(shí)間: 2025-3-28 13:07
Nonclassical Phase Space Jumps and Optimal Spawningand momenta are simultaneously altered to achieve an improved description of nonadiabatic events. This optimal spawning procedure reduces to simpler approaches such as the strict momentum jump in appropriate limits, but is sufficiently flexible to describe cases where both position and momentum adjustments are important.作者: chiropractor 時(shí)間: 2025-3-28 16:52
Quantum Mechanical Examination of Optical Absorption Spectra of Silver Nanorod Dimersechanical calculations are required for the calculation of absorption spectra at very short interparticle distances where the electron densities of the two subsystems overlap. At short distances, the energies and intensities of the monomer peaks change substantially and new excitation peaks emerge作者: 燦爛 時(shí)間: 2025-3-28 19:18
https://doi.org/10.1007/978-1-349-24303-7 make an overview of the theoretical foundations on this assumption, originally proposed within the framework of nuclear physics and subsequently adopted in the study of molecular reactions. Examples of recent investigations on different atom–diatom processes are shown.作者: Fibrinogen 時(shí)間: 2025-3-28 23:41 作者: optional 時(shí)間: 2025-3-29 05:03 作者: Mangle 時(shí)間: 2025-3-29 08:40
Enhancing Efficiency in Sustainable Markets,do. In particular, we have derived the coupled equation of motion (EOM) for the position, momentum, and second-order cumulants of the product of the momentum and position fluctuation operators. The EOM for second-order approximation to QCD (QCD2) consists of classical and cumulant variables and of a作者: 失眠癥 時(shí)間: 2025-3-29 12:26 作者: plasma 時(shí)間: 2025-3-29 18:05 作者: 攀登 時(shí)間: 2025-3-29 19:51 作者: 嚴(yán)重傷害 時(shí)間: 2025-3-30 00:15
Stephen J. Ball,Sarah Bignold,Alan Cribbetrical parameters for H.O. and H.S. was done. Substitutions of one or both hydrogens in these molecules either by halogen atoms or alkyl groups were investigated for properties like geometries, dipole moments, . and . barriers. Attention has also been dedicated to the study of energy levels in the
