標題: Titlebook: Entropies of Condensed Phases and Complex Systems; A First Principles A Christian Spickermann Book 2011 Springer-Verlag Berlin Heidelberg 2 [打印本頁] 作者: Hemochromatosis 時間: 2025-3-21 17:02
書目名稱Entropies of Condensed Phases and Complex Systems影響因子(影響力)
書目名稱Entropies of Condensed Phases and Complex Systems影響因子(影響力)學科排名
書目名稱Entropies of Condensed Phases and Complex Systems網(wǎng)絡公開度
書目名稱Entropies of Condensed Phases and Complex Systems網(wǎng)絡公開度學科排名
書目名稱Entropies of Condensed Phases and Complex Systems被引頻次
書目名稱Entropies of Condensed Phases and Complex Systems被引頻次學科排名
書目名稱Entropies of Condensed Phases and Complex Systems年度引用
書目名稱Entropies of Condensed Phases and Complex Systems年度引用學科排名
書目名稱Entropies of Condensed Phases and Complex Systems讀者反饋
書目名稱Entropies of Condensed Phases and Complex Systems讀者反饋學科排名
作者: 漂亮 時間: 2025-3-21 20:28
https://doi.org/10.1007/978-3-662-29533-5tities out of microscopic calculations, which are based on different approximations of quantum mechanics and as such only provide information about mechanical properties at first. The standard rigid rotor harmonic oscillator (rrho) model for the prediction of thermodynamic gas phase properties out o作者: DUST 時間: 2025-3-22 02:21
https://doi.org/10.1007/978-3-662-40054-8 hydrogen bond labeled as “aw”. The orientation of the four amide groups of the macrocycle is also indicated via the labels “in” and “out”, where “out” denotes an amide group whose carbonyl bond points away from the cavity of the wheel.作者: adumbrate 時間: 2025-3-22 07:48
https://doi.org/10.1007/978-3-662-41223-7ated in terms of the quantum cluster equilibrium model. The main focus will again be set to the calculation of condensed phase entropies, since this quantity proved to be problematic for the conventional rigid rotor harmonic oscillator approach. The results presented in the previous chapter demonstr作者: INERT 時間: 2025-3-22 11:18
,Lituiten und andere gekrümmte Nautiliden,quid to the gas phase. As in the previous chapters the primal quantity under investigation will be the (vaporization) entropy, but other phase transition properties will be computed as well. According to the results obtained from the parameter-free qce calculations for water and hydrogen fluoride as作者: bacteria 時間: 2025-3-22 13:12 作者: bacteria 時間: 2025-3-22 19:17 作者: reject 時間: 2025-3-22 21:25 作者: Agronomy 時間: 2025-3-23 03:42 作者: Ordeal 時間: 2025-3-23 08:19 作者: 清醒 時間: 2025-3-23 10:56
Springer Theseshttp://image.papertrans.cn/e/image/311857.jpg作者: 惰性氣體 時間: 2025-3-23 15:03 作者: 無能力之人 時間: 2025-3-23 21:47 作者: 不遵守 時間: 2025-3-24 01:13 作者: 推測 時間: 2025-3-24 05:46
Book 2011onetheless, accurate treatment of inter-particle interactions, in terms of quantum chemical first principles methods, is a prerequisite for many applications, because of the complexity of both reactants and solvents in modern molecular sciences. Currently, a straightforward calculation of thermodyna作者: 適宜 時間: 2025-3-24 06:37 作者: abject 時間: 2025-3-24 13:33
https://doi.org/10.1007/978-3-662-29533-5 a van der Waals-like extension of the rrho approach for the thermodynamic treatment of condensed phases. In addition, several methods for computing thermodynamic equilibrium properties from molecular dynamics (md) simulations will be covered as well.作者: 葡萄糖 時間: 2025-3-24 15:51
,Lituiten und andere gekrümmte Nautiliden,ce parameters will be examined in detail, and an assessment with regard to values determined experimentally will be carried out. The systems employed for these investigations will again be the water and hydrogen fluoride cluster sets introduced in the previous chapter.作者: JIBE 時間: 2025-3-24 22:37 作者: 獨裁政府 時間: 2025-3-25 00:09
From Atomistic Calculations to Thermodynamic Quantities, a van der Waals-like extension of the rrho approach for the thermodynamic treatment of condensed phases. In addition, several methods for computing thermodynamic equilibrium properties from molecular dynamics (md) simulations will be covered as well.作者: thalamus 時間: 2025-3-25 05:17
Phase Transitions,ce parameters will be examined in detail, and an assessment with regard to values determined experimentally will be carried out. The systems employed for these investigations will again be the water and hydrogen fluoride cluster sets introduced in the previous chapter.作者: farewell 時間: 2025-3-25 09:34
2190-5053 the systematic improvement of calculated thermodynamics is pPredicting thermodynamic quantities for chemically realistic systems on the basis of atomistic calculations is still, even today, a nontrivial task. Nonetheless, accurate treatment of inter-particle interactions, in terms of quantum chemica作者: 泥沼 時間: 2025-3-25 15:29 作者: 清澈 時間: 2025-3-25 18:00 作者: ostracize 時間: 2025-3-25 20:36
https://doi.org/10.1007/978-3-662-41223-7nt in the case of associated liquids, and the systems investigated are the liquid phases of water and hydrogen fluoride, both of which exhibit relatively strong intermolecular interactions in terms of hydrogen bonding.作者: violate 時間: 2025-3-26 03:23
2190-5053 es on the basis of well-established quantum chemical methods. The main emphasis of this work is on realistic systems in solution, which is the most important environment for chemical synthesis. The presented re978-3-642-26678-2978-3-642-15736-3Series ISSN 2190-5053 Series E-ISSN 2190-5061 作者: Consequence 時間: 2025-3-26 04:26
Book 2011laid for the development of approaches suitable for calculation of condensed phase entropies on the basis of well-established quantum chemical methods. The main emphasis of this work is on realistic systems in solution, which is the most important environment for chemical synthesis. The presented re作者: Allure 時間: 2025-3-26 09:47 作者: 教義 時間: 2025-3-26 14:07 作者: Alopecia-Areata 時間: 2025-3-26 19:27
Assessment of the Rigid Rotor Harmonic Oscillator Model at Increased Densities, hydrogen bond labeled as “aw”. The orientation of the four amide groups of the macrocycle is also indicated via the labels “in” and “out”, where “out” denotes an amide group whose carbonyl bond points away from the cavity of the wheel.作者: foppish 時間: 2025-3-26 22:59 作者: Hyaluronic-Acid 時間: 2025-3-27 05:06
Phase Transitions,quid to the gas phase. As in the previous chapters the primal quantity under investigation will be the (vaporization) entropy, but other phase transition properties will be computed as well. According to the results obtained from the parameter-free qce calculations for water and hydrogen fluoride as作者: 裂口 時間: 2025-3-27 06:19 作者: 起波瀾 時間: 2025-3-27 10:25 作者: 動作謎 時間: 2025-3-27 14:26 作者: Protein 時間: 2025-3-27 21:15
world. Since the 1970s, much effort and expense have led to designs of coronary thrombolytic therapy, percutaneous coronary angioplasty (PTCA), coronary artery bypass grafting, heart transplantation, automatic defibrillators, as well as to the formation of beta blockers and com- pounds which block 作者: 陪審團 時間: 2025-3-28 01:02 作者: Dislocation 時間: 2025-3-28 02:20
Erarbeitung der physikalisch-me?technischen Grundlagen für eine Kompensationsmethode an Erdfelddetek
