標(biāo)題: Titlebook: Computational Methods for Large Molecules and Localized States in Solids; Proceedings of a Sym Frank Herman,A. D. McLean,R. K. Nesbet Confe [打印本頁] 作者: sesamoiditis 時(shí)間: 2025-3-21 17:09
書目名稱Computational Methods for Large Molecules and Localized States in Solids影響因子(影響力)
書目名稱Computational Methods for Large Molecules and Localized States in Solids影響因子(影響力)學(xué)科排名
書目名稱Computational Methods for Large Molecules and Localized States in Solids網(wǎng)絡(luò)公開度
書目名稱Computational Methods for Large Molecules and Localized States in Solids網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱Computational Methods for Large Molecules and Localized States in Solids被引頻次
書目名稱Computational Methods for Large Molecules and Localized States in Solids被引頻次學(xué)科排名
書目名稱Computational Methods for Large Molecules and Localized States in Solids年度引用
書目名稱Computational Methods for Large Molecules and Localized States in Solids年度引用學(xué)科排名
書目名稱Computational Methods for Large Molecules and Localized States in Solids讀者反饋
書目名稱Computational Methods for Large Molecules and Localized States in Solids讀者反饋學(xué)科排名
作者: appall 時(shí)間: 2025-3-21 22:52
Quantum Chemistry. Theory of Geometries and Energies of Small Moleculesuantum mechanical techniques. For the most part, such attempts have been based on molecular orbital techniques at various levels of approximation. In this paper, the current status of such theories for geometries and energies of small organic molecules will be reviewed.作者: appall 時(shí)間: 2025-3-22 03:32
Organic Transition Statescription of the pathway followed by the different atoms in the molecule (or molecules) during the reaction. One important feature of the pathway is the actual geometry of the col, or potential barrier: the so-called .. Transition states are not amenable to direct experimental observation; only indir作者: Acquired 時(shí)間: 2025-3-22 05:40
Solid State Concepts in Radiation Chemistry and Biologyiology are discussed from a solid state point of view. This realm, often referred to as the .. of radiation chemistry, occurs in the time range 10. < t < 10. sec, and its understanding is of paramount importance in the interpretation and prediction of channels for energy dissipation in radiation che作者: maudtin 時(shí)間: 2025-3-22 10:36 作者: hypnogram 時(shí)間: 2025-3-22 13:40
Introductory Remarksy are areas in which computational quantum chemistry has so far had relatively little impact. This is certainly not because there are not important questions to be answered. The area of interactions between molecules or parts of the same molecule, and rotational barriers in polymer molecules, could 作者: hypnogram 時(shí)間: 2025-3-22 18:44
Approximations for Large-Molecule Calculationsates in solids. Such studies differ from those applicable to small molecules through the necessity of choosing methods which do not outstrip our computing capacities, and differ from conventional infinite-crystal studies through a lack of exploitable translational symmetry. The regime under consider作者: backdrop 時(shí)間: 2025-3-22 22:51
AB Initio Computation of Molecular Structures Through Configuration Interactional difficulties in the application of its theories and models. This is particularly true because it is concerned with interactions of atoms and molecules which by their very nature cannot be described concisely in a single coordinate system. Yet, these computational hurdles must be overcome if the s作者: 忍耐 時(shí)間: 2025-3-23 05:19
Die inneren Grenzen der Biographieforschungl on the speakers. However, I will take a little time to review some aspects of past history, plus a few pointers toward the future. (In this written account, I am taking the liberty of “extending” the brief remarks which I actually made).作者: 綁架 時(shí)間: 2025-3-23 08:11
Narrative Identit?tsarbeit im Interviewuantum mechanical techniques. For the most part, such attempts have been based on molecular orbital techniques at various levels of approximation. In this paper, the current status of such theories for geometries and energies of small organic molecules will be reviewed.作者: 刪減 時(shí)間: 2025-3-23 11:07 作者: condone 時(shí)間: 2025-3-23 15:30
https://doi.org/10.1007/978-94-015-9357-1The main physiological function of hemoglobin is to pick up molecular oxygen in the lungs, transport it to the tissues and deposit it there. On the face of it, this is not especially remarkable; it is only when the process is examined in some detail that a number of unusual features emerge.作者: Cougar 時(shí)間: 2025-3-23 22:00
https://doi.org/10.1007/978-94-015-9357-1The science of nucleation is briefly surveyed and many attendant challenges are noted. The emerging molecular-level theory of nucleation is discussed as is the importance of a diffusion-controlled reaction kinetic treatment in that theory. Experimental study of nucleation at the molecular level is discussed.作者: Acclaim 時(shí)間: 2025-3-23 23:41
Structural Characteristics and Electronic States of HemoglobinThe main physiological function of hemoglobin is to pick up molecular oxygen in the lungs, transport it to the tissues and deposit it there. On the face of it, this is not especially remarkable; it is only when the process is examined in some detail that a number of unusual features emerge.作者: LANCE 時(shí)間: 2025-3-24 06:24
Molecular Theory of NucleationThe science of nucleation is briefly surveyed and many attendant challenges are noted. The emerging molecular-level theory of nucleation is discussed as is the importance of a diffusion-controlled reaction kinetic treatment in that theory. Experimental study of nucleation at the molecular level is discussed.作者: crockery 時(shí)間: 2025-3-24 07:36 作者: Creatinine-Test 時(shí)間: 2025-3-24 14:26 作者: 熱情贊揚(yáng) 時(shí)間: 2025-3-24 17:20
Die inneren Grenzen der Biographieforschungl on the speakers. However, I will take a little time to review some aspects of past history, plus a few pointers toward the future. (In this written account, I am taking the liberty of “extending” the brief remarks which I actually made).作者: isotope 時(shí)間: 2025-3-24 19:45
Narrative Identit?tsarbeit im Interviewuantum mechanical techniques. For the most part, such attempts have been based on molecular orbital techniques at various levels of approximation. In this paper, the current status of such theories for geometries and energies of small organic molecules will be reviewed.作者: Consensus 時(shí)間: 2025-3-24 23:57 作者: Ornament 時(shí)間: 2025-3-25 06:49 作者: Pcos971 時(shí)間: 2025-3-25 09:48 作者: 江湖郎中 時(shí)間: 2025-3-25 12:39
https://doi.org/10.1007/978-3-658-33032-3y are areas in which computational quantum chemistry has so far had relatively little impact. This is certainly not because there are not important questions to be answered. The area of interactions between molecules or parts of the same molecule, and rotational barriers in polymer molecules, could 作者: Detain 時(shí)間: 2025-3-25 16:33
Subjektive Faktoren in der Translationates in solids. Such studies differ from those applicable to small molecules through the necessity of choosing methods which do not outstrip our computing capacities, and differ from conventional infinite-crystal studies through a lack of exploitable translational symmetry. The regime under consider作者: FER 時(shí)間: 2025-3-25 22:14 作者: Amorous 時(shí)間: 2025-3-26 01:22 作者: 使熄滅 時(shí)間: 2025-3-26 05:31
978-1-4684-2015-9Springer Science+Business Media New York 1973作者: 相符 時(shí)間: 2025-3-26 12:19
es in solids. Various semi-empirical and first-principles methods well known in quantum chemistry have been applied with considerable success to ever larger and more complex molecules, including some of biological importance, as well as to selected solid state problems involving localized electronic作者: aplomb 時(shí)間: 2025-3-26 14:11 作者: BLANK 時(shí)間: 2025-3-26 19:43
https://doi.org/10.1007/978-3-658-33032-3y weak, ranging for the most part from.002 k cal/mole (the interaction of two helium atoms at the van der Waals minimum) to about 10 k cal/mole (a strong hydrogen bond, or a rotational barrier in a polymer molecule).作者: 外面 時(shí)間: 2025-3-27 00:37
Solid State Concepts in Radiation Chemistry and Biology realm. The better known events of “internal conversion” and “intersystem crossing” follow the higher energy relaxation mechanisms and help to localize the excitations in low-lying neutral or ionic states of the aggregate so that chemistry can eventually occur.作者: 逃避責(zé)任 時(shí)間: 2025-3-27 03:57
Introductory Remarksy weak, ranging for the most part from.002 k cal/mole (the interaction of two helium atoms at the van der Waals minimum) to about 10 k cal/mole (a strong hydrogen bond, or a rotational barrier in a polymer molecule).作者: alcoholism 時(shí)間: 2025-3-27 08:49
Approximations for Large-Molecule Calculationsation is thereby characterized by a maximum in difficulty of precise calculation, but this difficulty is to some extent compensated by the fact that relatively crude results can often be highly useful.作者: Habituate 時(shí)間: 2025-3-27 11:24 作者: 抵消 時(shí)間: 2025-3-27 13:39 作者: 蜿蜒而流 時(shí)間: 2025-3-27 20:41 作者: 發(fā)酵劑 時(shí)間: 2025-3-28 01:31
Conference proceedings 1973ds. Various semi-empirical and first-principles methods well known in quantum chemistry have been applied with considerable success to ever larger and more complex molecules, including some of biological importance, as well as to selected solid state problems involving localized electronic states. I作者: 殺菌劑 時(shí)間: 2025-3-28 06:05
https://doi.org/10.1007/978-3-658-33032-3 any meaningful comparison of rates, for instance, could be made. However the calculated transition state, and its energy relative to other competing points, can give information on the likely products to be obtained in the reaction.作者: 整體 時(shí)間: 2025-3-28 06:27
Literalit?tstheoretische Implikationenutational power of the large machines but which can be operated with the new generation of minicomputers. I will discuss this aspect of computation as it applies to the design and visualization of large molecules and molecular complexes. It is a more subtle problem than numerical calculation and as 作者: 參考書目 時(shí)間: 2025-3-28 11:37
Organic Transition States any meaningful comparison of rates, for instance, could be made. However the calculated transition state, and its energy relative to other competing points, can give information on the likely products to be obtained in the reaction.作者: 團(tuán)結(jié) 時(shí)間: 2025-3-28 14:56
Molecular Modeling by Computerutational power of the large machines but which can be operated with the new generation of minicomputers. I will discuss this aspect of computation as it applies to the design and visualization of large molecules and molecular complexes. It is a more subtle problem than numerical calculation and as 作者: 不能平靜 時(shí)間: 2025-3-28 20:33 作者: CRAMP 時(shí)間: 2025-3-29 00:57 作者: Antecedent 時(shí)間: 2025-3-29 06:02 作者: 網(wǎng)絡(luò)添麻煩 時(shí)間: 2025-3-29 08:51 作者: 舊石器時(shí)代 時(shí)間: 2025-3-29 13:50
Textbook 20105th editionerden aufgestellt. Auf der Grundlage dieser Haupts?tze führt die Thermodynamik zu allgemeinen Relationen zwischen makroskopischen Gr??en. Breiten Raum nimmt dann die Anwendung der Statistik auf viele verschiedenartige Systeme ein; zu diesen Systemen geh?ren ideale und reale Gase, das Elektronengas i作者: Inordinate 時(shí)間: 2025-3-29 16:38 作者: cochlea 時(shí)間: 2025-3-29 22:08 作者: 噱頭 時(shí)間: 2025-3-30 00:29
Introduction,s a first responder. Product longevity and durability, despite being acknowledged as properties to establish in design practice, have not been widely accepted as design standards. At the same time, decolonial, place-based repair approaches led by communities and grassroots initiatives, provide valua
