標(biāo)題: Titlebook: Charge Distributions and Chemical Effects; A New Approach to th Sándor Fliszár Book 1983 Springer-Verlag New York Inc. 1983 Bindungsenergie [打印本頁] 作者: 孵化 時間: 2025-3-21 16:52
書目名稱Charge Distributions and Chemical Effects影響因子(影響力)
書目名稱Charge Distributions and Chemical Effects影響因子(影響力)學(xué)科排名
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書目名稱Charge Distributions and Chemical Effects被引頻次學(xué)科排名
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書目名稱Charge Distributions and Chemical Effects年度引用學(xué)科排名
書目名稱Charge Distributions and Chemical Effects讀者反饋
書目名稱Charge Distributions and Chemical Effects讀者反饋學(xué)科排名
作者: 秘傳 時間: 2025-3-21 22:48 作者: Ossification 時間: 2025-3-22 00:38 作者: CIS 時間: 2025-3-22 06:36 作者: Proponent 時間: 2025-3-22 10:53
Ermittlung des Ern?hrungsstatusthe accuracy which can be achieved in this way. While this type of result is, in itself, a possible source of future developments in the field of molecular vibrational energies, it appears now safe to take advantage of the confidence which has been built up in “constructed” ZPE + .... energies. Inde作者: 自然環(huán)境 時間: 2025-3-22 16:07
Praxisleitfaden Unternehmensethikcheme. Understandably, this state of affairs casts serious doubts on the ability of the Mulliken scheme to obtain meaningful charge distributions, suited for the discussion of real physical problems; moreover, any theoretical improvement in the basis set description in . calculations only worsens th作者: 自然環(huán)境 時間: 2025-3-22 17:44 作者: 個阿姨勾引你 時間: 2025-3-23 00:47 作者: thrombus 時間: 2025-3-23 01:42 作者: Commonplace 時間: 2025-3-23 08:11
Hauptfallgruppen der Amts- und Staatshaftung summary of sets of theoretical results. Of course, the . and .. values to be used for reproducing theoretical charges differ from case to case (Table 2.9). This situation now raises the following questions.作者: 畫布 時間: 2025-3-23 11:35 作者: 以煙熏消毒 時間: 2025-3-23 15:54
Hauptfallgruppen der Amts- und Staatshaftungs, namely those of carbon atoms, which are used in energy calculations, and answer a few puzzling questions, e.g., why is the calculated bond contribution of the ethane CC bond, ε. = 69.63 kcal/mol, so different from the commonly accepted value,. ~ 80 kcal/mol?作者: 脫毛 時間: 2025-3-23 19:19
A Modified Population Analysis, summary of sets of theoretical results. Of course, the . and .. values to be used for reproducing theoretical charges differ from case to case (Table 2.9). This situation now raises the following questions.作者: GLUT 時間: 2025-3-23 23:30
Charge Analyses Involving Nuclear Magnetic Resonance Shifts,e lack of precise guidelines providing a general recipe for the appropriate partitioning of overlap populations. Therefore, it becomes necessary in some cases to use indirect methods for obtaining charge analyses by putting common sense to work as a temporary replacement for mathematical formulations.作者: 即席演說 時間: 2025-3-24 03:23
Energy Analysis of Saturated Hydrocarbons,s, namely those of carbon atoms, which are used in energy calculations, and answer a few puzzling questions, e.g., why is the calculated bond contribution of the ethane CC bond, ε. = 69.63 kcal/mol, so different from the commonly accepted value,. ~ 80 kcal/mol?作者: adulterant 時間: 2025-3-24 07:54 作者: 國家明智 時間: 2025-3-24 11:58 作者: 阻撓 時間: 2025-3-24 15:07
Lipid- und Lipoproteinstoffwechselof saturated hydrocarbons but, because of other uncertainties affecting the evaluation of olefinic hydrocarbons (namely, as regards their vibrational energies), the accuracy achieved in this manner may still be regarded as acceptable.作者: Capture 時間: 2025-3-24 21:33
Charge Analysis of Simple Alkanes,essful in its own right, are known to generate charge distributions which vary depending upon the method. This is disturbing if one tends to consider molecular wave functions and charge densities as part of the description of the molecular reality.作者: palpitate 時間: 2025-3-25 00:56 作者: textile 時間: 2025-3-25 07:16
https://doi.org/10.1007/978-1-4612-5575-8Bindungsenergie; Ladungsverteilung; chemistry; molecule; quantum theory作者: 真實的你 時間: 2025-3-25 09:15 作者: 浮雕 時間: 2025-3-25 14:32 作者: 動機 時間: 2025-3-25 19:12 作者: Pigeon 時間: 2025-3-25 23:46
Christoph Stein,Peter Itzel,Karin Schwallf molecular structure is firmly assessed by the Hohenberg-Kohn theorem. which shows that under certain assumptions a non-degenerate ground state is a unique functional of the electron density. Unfortunately, only the existence, but not the form, of the functional was determined.作者: 檔案 時間: 2025-3-26 00:46
Christoph Stein,Peter Itzel,Karin Schwallh as spectroscopic information, rotational barriers, conformations, etc. However, different quantum mechanical approaches, though each one may be successful in its own right, are known to generate charge distributions which vary depending upon the method. This is disturbing if one tends to consider 作者: 逗它小傻瓜 時間: 2025-3-26 04:50 作者: Morose 時間: 2025-3-26 09:44
https://doi.org/10.1007/b137948from different theoretical models are in general agreement. The validity of this unifying conclusion has been established in a detailed fashion only for the saturated hydrocarbons but it is clear that departures from the usual halving of overlap populations are to be considered in any case involving作者: Acupressure 時間: 2025-3-26 13:34
Christoph Stein,Peter Itzel,Karin Schwallaterial support for the discussion of a number of problems regarding chemical transformations and molecular properties. Because of the undisputed qualities of this type of description, much can be gained (namely, in simplicity) with the use of a theoretical approach retracing the essential features 作者: 使厭惡 時間: 2025-3-26 19:59 作者: expound 時間: 2025-3-26 21:01
https://doi.org/10.1007/978-3-642-55896-2eed, at this level the problem is not obscured by other forms of molecular energies, namely zero-point (ZPE) and thermal (..-..) energies, which cannot be regarded as truly additive properties. Full advantage was taken of these facts, and appropriate equations were derived which give access to atomi作者: GROUP 時間: 2025-3-27 02:22
Lipid- und Lipoproteinstoffwechselout without explicit consideration of nonbonded Coulomb interactions. This approximation introduces an error similar to that encountered in the study of saturated hydrocarbons but, because of other uncertainties affecting the evaluation of olefinic hydrocarbons (namely, as regards their vibrational 作者: 歡呼 時間: 2025-3-27 06:40
Ermittlung des Ern?hrungsstatush was not derived directly from theory is the absolute magnitude of the carbon net charge in ethane, .. = 35.1 me. This result is carried over in any calculation involving alkyl groups, e.g., in the study of ethylenic compounds and, in the present case, of selected ethers and carbonyl compounds. An 作者: 大洪水 時間: 2025-3-27 09:55 作者: choleretic 時間: 2025-3-27 15:57 作者: 摘要 時間: 2025-3-27 20:13 作者: Virtues 時間: 2025-3-28 00:55 作者: Infect 時間: 2025-3-28 03:49 作者: gratify 時間: 2025-3-28 10:08 作者: Type-1-Diabetes 時間: 2025-3-28 12:14
A Modified Population Analysis,tical charges derived in a variety of different manners. Indeed, although theoretically deduced results cover a wide spectrum of numeral values (ranging from C.-H. to C.-H. situations) supposedly describing net charges of selected atoms, each individual theoretical method yields a set of results ref作者: Anthrp 時間: 2025-3-28 14:39
Charge Analyses Involving Nuclear Magnetic Resonance Shifts,from different theoretical models are in general agreement. The validity of this unifying conclusion has been established in a detailed fashion only for the saturated hydrocarbons but it is clear that departures from the usual halving of overlap populations are to be considered in any case involving作者: Custodian 時間: 2025-3-28 19:58 作者: Accrue 時間: 2025-3-29 01:05
Energy Analysis of Saturated Hydrocarbons,energies. These comparisons provide an understanding of a number of major conformational effects in terms involving only basic physical effects (i.e., nuclear-electronic and nuclear-nuclear potential energies) and disclose trends regarding molecular stabilities at the vibrationless level, on the one作者: scrutiny 時間: 2025-3-29 04:54
