標(biāo)題: Titlebook: Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology; Matti Hotokka,Erkki J. Br?ndas,Gerardo Delgado-Bar Confer [打印本頁] 作者: Sediment 時(shí)間: 2025-3-21 19:07
書目名稱Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology影響因子(影響力)
書目名稱Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology影響因子(影響力)學(xué)科排名
書目名稱Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology網(wǎng)絡(luò)公開度
書目名稱Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology被引頻次
書目名稱Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology被引頻次學(xué)科排名
書目名稱Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology年度引用
書目名稱Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology年度引用學(xué)科排名
書目名稱Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology讀者反饋
書目名稱Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology讀者反饋學(xué)科排名
作者: crockery 時(shí)間: 2025-3-21 20:41 作者: ELUDE 時(shí)間: 2025-3-22 00:54 作者: HEW 時(shí)間: 2025-3-22 04:55
Some Biochemical Reflections on Information and Communicationops from the notion of a so-called Spatio-Temporal Neumatic, ., configuration, an open dissipative structure resting on the boundaries connecting micro-, meso- and macroscopic levels. In this category one finds . self-organization of molecular motion, enzymatic catalysis and the self-assembly of nan作者: pericardium 時(shí)間: 2025-3-22 11:21 作者: corporate 時(shí)間: 2025-3-22 16:49
Charge Transfer Rate Constants in Ion-Atom and Ion-Molecule Processescalculations. An analysis of quantum and semi-classical dynamics is presented in order to determine the limit of validity of such methods. Accurate cross sections and rate constants are determined which provide important data for space chemistry models. Additionally, such theoretical approaches give作者: electrolyte 時(shí)間: 2025-3-22 19:43
Spin Torque and Zeta Force in Allene-Type Moleculesby using allene-type molecules (C.H. and C.H.Li.) in their stationary states. We show that the two molecules have different distribution patterns of these quantities though their structures are very similar to each other. It is also shown that the zeta potential distribution is almost independent of作者: plasma-cells 時(shí)間: 2025-3-23 01:12
A Refined Quartic Potential Surface for S0 Formaldehydenitio field (Martin et al. in J. Mol. Spectrosc. 160:105,?.). In the calculations we have been using our recently developed variational vibrational calculation method. During the refinement procedure, all (80) harmonic, cubic and quartic force constants of the original field have been varied sequent作者: 漸變 時(shí)間: 2025-3-23 01:40 作者: 到婚嫁年齡 時(shí)間: 2025-3-23 09:24
Structural and Thermodynamic Properties of Au2–58 Clustersn to study systematically neutral gold clusters with from 2 to 58 atoms. The ground states of the clusters are identified and different descriptors are used to analyze the properties of the clusters, including stability, overall shape, similarity, growth patterns, and structural motifs. The vibratio作者: 集合 時(shí)間: 2025-3-23 12:39 作者: cochlea 時(shí)間: 2025-3-23 16:53
Hydrogen in Light-Metal Cage Assemblies: Towards a Nanofoam Storage≤18) clusters with up to two endohedral H. molecules which undergo in-cage dissociation. The systems structures and stabilities are discussed, including energy barriers for hydrogen exit from the cage. The origin of the observed metastability, allowing for a lower-temperature release of H., is explo作者: DEBT 時(shí)間: 2025-3-23 18:05
A Theoretical Study on a Visible-Light Photo-Catalytic Activity in Carbon-Doped SrTiO3 Perovskiteg at oxygen site, because no oxygen vacancy is then formed. From our density functional theory (DFT) calculations for carbon anion-doped cluster models, it was found that carbon anion-doping enhances the visible-light photocatalytic activity, realizing a stable crystal structure. Finally, we conclud作者: Dissonance 時(shí)間: 2025-3-24 01:09
A Theoretical Study on Proton Conduction Mechanism in BaZrO3 Perovskiteding. The calculated activation energy for proton conduction was much larger than the experimental one. It is because O–H covalent bonding formation affects the low-frequency real part in AC impedance spectra. The higher proton conductivity in wet condition is derived from “proton pumping effect”. W作者: 錯(cuò)誤 時(shí)間: 2025-3-24 04:54 作者: 減去 時(shí)間: 2025-3-24 09:52
Topological Mechanochemistry of GrapheneThe feature is the most sensitive point of the inherent topology of the species so that such external action as the mechanical deformation should obviously change it and result in particular topological effects. The current chapter describes the effects caused by uniaxial tension of a graphene molec作者: paroxysm 時(shí)間: 2025-3-24 13:42 作者: 用肘 時(shí)間: 2025-3-24 18:37 作者: 簡潔 時(shí)間: 2025-3-24 19:16 作者: MOT 時(shí)間: 2025-3-25 01:32 作者: 表示向前 時(shí)間: 2025-3-25 05:31 作者: APRON 時(shí)間: 2025-3-25 07:32
Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology978-3-319-01529-3Series ISSN 1567-7354 Series E-ISSN 2215-0129 作者: AGONY 時(shí)間: 2025-3-25 13:09
Recent Advances in Pattern Classification,e to the choice of basis set and parameters of the stabilization potential. The conclusion on the suitability of this method for calculating resonance energies and widths is based on the analysis of our computational results.作者: Emmenagogue 時(shí)間: 2025-3-25 16:04 作者: lipoatrophy 時(shí)間: 2025-3-25 23:50 作者: Tractable 時(shí)間: 2025-3-26 01:27 作者: famine 時(shí)間: 2025-3-26 05:15
Sahar Qazi,Salim Ahmad,Khalid Razaolecular spectroscopy. It is assumed that, in principle, the PES can be calculated by means of clamped-nuclei electronic structure calculations based upon the Schr?dinger Coulomb Hamiltonian. This article is devoted to a discussion of the origin of the idea, its development in the context of the Old作者: 外貌 時(shí)間: 2025-3-26 09:04
Ibrahim Babangida Mohammed,Salmi Mohd Isaity, but on a much more subtle level. Quantum mechanics incorporates both mechanical and field theory features, which results in the well-known particle-wave aspects of complementarity. The degeneracy problem, however, prompts a new type of “property-object” complementary phenomena. This leads to se作者: Receive 時(shí)間: 2025-3-26 16:08 作者: 神化怪物 時(shí)間: 2025-3-26 16:53
Computational Intelligence Paradigmsops from the notion of a so-called Spatio-Temporal Neumatic, ., configuration, an open dissipative structure resting on the boundaries connecting micro-, meso- and macroscopic levels. In this category one finds . self-organization of molecular motion, enzymatic catalysis and the self-assembly of nan作者: 聚集 時(shí)間: 2025-3-26 22:09
Recent Advances in Pattern Classification,e to the choice of basis set and parameters of the stabilization potential. The conclusion on the suitability of this method for calculating resonance energies and widths is based on the analysis of our computational results.作者: 過分 時(shí)間: 2025-3-27 04:12
https://doi.org/10.1007/978-3-642-24049-2calculations. An analysis of quantum and semi-classical dynamics is presented in order to determine the limit of validity of such methods. Accurate cross sections and rate constants are determined which provide important data for space chemistry models. Additionally, such theoretical approaches give作者: obeisance 時(shí)間: 2025-3-27 07:08 作者: RACE 時(shí)間: 2025-3-27 13:24 作者: degradation 時(shí)間: 2025-3-27 16:45 作者: 友好關(guān)系 時(shí)間: 2025-3-27 19:24 作者: Malfunction 時(shí)間: 2025-3-27 22:44 作者: 退出可食用 時(shí)間: 2025-3-28 05:07
Elements of the theory of fuzzy sets,≤18) clusters with up to two endohedral H. molecules which undergo in-cage dissociation. The systems structures and stabilities are discussed, including energy barriers for hydrogen exit from the cage. The origin of the observed metastability, allowing for a lower-temperature release of H., is explo作者: 下級(jí) 時(shí)間: 2025-3-28 09:31
Studies in Fuzziness and Soft Computingg at oxygen site, because no oxygen vacancy is then formed. From our density functional theory (DFT) calculations for carbon anion-doped cluster models, it was found that carbon anion-doping enhances the visible-light photocatalytic activity, realizing a stable crystal structure. Finally, we conclud作者: FRONT 時(shí)間: 2025-3-28 13:20
Atlantis Computational Intelligence Systemsding. The calculated activation energy for proton conduction was much larger than the experimental one. It is because O–H covalent bonding formation affects the low-frequency real part in AC impedance spectra. The higher proton conductivity in wet condition is derived from “proton pumping effect”. W作者: OVERT 時(shí)間: 2025-3-28 16:12
Ana M. A. Dias,Eugénio C. Ferreirane. In contrast to the theory of aromaticity, the molecular theory is based on the fact that odd electrons with different spins occupy different places in the space so that the configuration interaction becomes the central point of the theory. Consequently, a multi-determinant presentation of the wa作者: AND 時(shí)間: 2025-3-28 22:04
Studies in Computational IntelligenceThe feature is the most sensitive point of the inherent topology of the species so that such external action as the mechanical deformation should obviously change it and result in particular topological effects. The current chapter describes the effects caused by uniaxial tension of a graphene molec作者: 階層 時(shí)間: 2025-3-29 00:36 作者: 大包裹 時(shí)間: 2025-3-29 04:36
Some Biochemical Reflections on Information and Communicationerandi. The latter lacks intrinsic memory, but its statistical nature gives way to something non-intrinsic of teleonomic significance. Various consequences of this idea prompt a broadened notion of communication and information, generating encodable cell differentiation through cell quality value fa作者: OPINE 時(shí)間: 2025-3-29 10:07
An Evaluation of Density Functional Theory for CO Adsorption on Pt(111)f .-repulsion are reduced as the CO S-T excitation energy increasing, and the effect of reduction for CO at top site is more remarkable than that for CO at fcc site. Therefore, CO would more favor to adsorb at top site in those functionals which can give better CO S-T excitation energy. Although the作者: 逃避現(xiàn)實(shí) 時(shí)間: 2025-3-29 11:56 作者: 絕食 時(shí)間: 2025-3-29 18:51
Ibrahim Babangida Mohammed,Salmi Mohd Isaat correspond to the well-known B-O degeneracies giving the latter in actual fact a metaphysical attribute. However, Nature has in this case a more sophisticated method or modus operandi to avoid degenerations and to instigate symmetry violations.作者: COST 時(shí)間: 2025-3-29 23:41
Computational Intelligence Paradigmserandi. The latter lacks intrinsic memory, but its statistical nature gives way to something non-intrinsic of teleonomic significance. Various consequences of this idea prompt a broadened notion of communication and information, generating encodable cell differentiation through cell quality value fa作者: foreign 時(shí)間: 2025-3-30 03:43 作者: strain 時(shí)間: 2025-3-30 04:28 作者: 無效 時(shí)間: 2025-3-30 11:51 作者: Unsaturated-Fat 時(shí)間: 2025-3-30 15:08
Elements of the theory of fuzzy sets,d of pairs or single H atoms suspended electrostatically inside the metal cage units (“nanobubbles”). Interesting features include simultaneous exit of two H atoms, etc. Structural extrapolations suggest potential hydrogen storage capacity up to ～10 weight-%.作者: RAG 時(shí)間: 2025-3-30 20:17 作者: periodontitis 時(shí)間: 2025-3-30 21:55
Conference proceedings 2013sentations given at the 17th International Workshop on Quantum Systems in Chemistry, Physics, and Biology. New trends and state-of-the-art developments in the quantum theory of atomic and molecular systems, and condensed matter (including biological systems and nanostructures) are described by acade作者: Inkling 時(shí)間: 2025-3-31 00:51 作者: Dorsal-Kyphosis 時(shí)間: 2025-3-31 07:03
Topological Mechanochemistry of Graphenend chemical modification of the edge atoms of the molecule. The mechanical behavior is shown to be not only highly anisotropic with respect to the direction of the load application, but greatly dependent on the chemical modification of the molecule edge atoms thus revealing the topological character of the graphene deformation.作者: notification 時(shí)間: 2025-3-31 11:11 作者: ABOUT 時(shí)間: 2025-3-31 13:44
https://doi.org/10.1007/978-3-319-21440-5ially in groups of ten, until the best possible fit between the calculated and experimentally measured results has been obtained for a set of carefully selected 29 frequencies (of .. symmetry), extending up to ～6000?cm. of excess vibrational energy.作者: Rinne-Test 時(shí)間: 2025-3-31 17:40
B. Sahiner,H. P. Chan,N. Petricknal heat capacity of the ground state of neutral gold clusters at different temperatures are calculated by a newly developed method. The results show that the heat capacity is strongly size-dependent, particularly at low temperature.作者: 老巫婆 時(shí)間: 2025-3-31 23:34 作者: 和平 時(shí)間: 2025-4-1 03:19
