標(biāo)題: Titlebook: Chemistry by Computer; An Overview of the A Stephen Wilson Book 1986 Plenum Press, New York 1986 Chemical reaction.chemistry.computational [打印本頁] 作者: hypothyroidism 時(shí)間: 2025-3-21 19:29
書目名稱Chemistry by Computer影響因子(影響力)
書目名稱Chemistry by Computer影響因子(影響力)學(xué)科排名
書目名稱Chemistry by Computer網(wǎng)絡(luò)公開度
書目名稱Chemistry by Computer網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱Chemistry by Computer被引頻次
書目名稱Chemistry by Computer被引頻次學(xué)科排名
書目名稱Chemistry by Computer年度引用
書目名稱Chemistry by Computer年度引用學(xué)科排名
書目名稱Chemistry by Computer讀者反饋
書目名稱Chemistry by Computer讀者反饋學(xué)科排名
作者: 整頓 時(shí)間: 2025-3-21 20:36 作者: SEED 時(shí)間: 2025-3-22 03:23 作者: 無瑕疵 時(shí)間: 2025-3-22 08:29
Molecular Mechanicsedom even these semiempirical approaches become intractable. We are still a long way from the ideal of obtaining chemical results by solving the Schr?dinger equation for a system of arbitrary size and complexity.作者: 上腭 時(shí)間: 2025-3-22 10:24 作者: 跳動(dòng) 時(shí)間: 2025-3-22 16:47
thods are described in the second part of the book. In the third part, a survey is given of some areas in which the techniques of computational chemistry are being applied. As a result of the limited space available in a single volume, the areas covered are necessarily selective. Nevertheless, a sufficiently 978-1-4612-9262-3978-1-4613-2137-8作者: 跳動(dòng) 時(shí)間: 2025-3-22 20:51
Why Should We Use Quantum Theory? is an image with a long history dating from the heyday of the Industrial Revolution. These “traditional” chemists played a key role in the industrialization, which, as we all know, changed first the face of Britain and then the rest of the world over the last two hundred years.作者: 合乎習(xí)俗 時(shí)間: 2025-3-22 22:14 作者: 嘲笑 時(shí)間: 2025-3-23 02:46
General Conclusions and OutlookSoon after the advent of modern quantum theory in the late 1920s, Paul A. M. Dirac, the English physicist who shared the Nobel Prize for physics in 1933 with Austrian Erwin Schr?dinger, wrote:作者: 某人 時(shí)間: 2025-3-23 05:40 作者: AROMA 時(shí)間: 2025-3-23 10:08 作者: 笨拙的你 時(shí)間: 2025-3-23 14:00
https://doi.org/10.1007/978-3-030-35895-2 the computational approach to the study of chemistry should be regarded as a rival to the traditional experimental techniques. Often the two approaches are complementary, one approach providing data which are not available from the other, and vice versa. Sometimes an experiment may be considered to作者: archetype 時(shí)間: 2025-3-23 18:21 作者: 疏遠(yuǎn)天際 時(shí)間: 2025-3-24 00:22
https://doi.org/10.1007/978-3-030-36595-0ent and, indeed, with computers that may become available in the foreseeable future. By abandoning the strictly . approach and developing semiempirical formalisms, we can extend the range of problems to which the methods of computational quantum chemistry can be applied. These semiempirical methods,作者: 嚴(yán)厲譴責(zé) 時(shí)間: 2025-3-24 03:12 作者: 無可爭(zhēng)辯 時(shí)間: 2025-3-24 09:25
General Conclusions and Outlookr, densities are much higher than in the dilute gas phase and every atom or molecule in the system is always close to a number of other particles. Therefore, since the total intermolecular energy is large and of the same order of magnitude as the kinetic energy for these states of matter, the proper作者: BAIL 時(shí)間: 2025-3-24 12:56
Quality Measures for Palliative Care, by recording the microwave spectrum received by radio telescope from an interstellar or circumstellar dust cloud and comparing it with the spectra produced in laboratory experiments. This provides a reliable technique for the identification of molecules in space that are well known in the laborator作者: Engulf 時(shí)間: 2025-3-24 18:21 作者: 猛然一拉 時(shí)間: 2025-3-24 20:20 作者: 內(nèi)疚 時(shí)間: 2025-3-25 00:04
Returns and the Gaussian Hypothesis,understanding of the nature of atoms and molecules and the ways in which they interact with one another. We have been able to give an even briefer outline of some of the applications of the methods of computational chemistry to problems of current interest in chemistry, in astrophysics, in pharmacol作者: 污穢 時(shí)間: 2025-3-25 04:29 作者: echnic 時(shí)間: 2025-3-25 10:15
https://doi.org/10.1007/978-1-4613-2137-8Chemical reaction; chemistry; computational chemistry; kinetics; molecule; quantum chemistry; reactions作者: peptic-ulcer 時(shí)間: 2025-3-25 14:42 作者: 收到 時(shí)間: 2025-3-25 19:31
Introduction is an image with a long history dating from the heyday of the Industrial Revolution. These “traditional” chemists played a key role in the industrialization, which, as we all know, changed first the face of Britain and then the rest of the world over the last two hundred years.作者: Mere僅僅 時(shí)間: 2025-3-25 23:53
New Horizonsunderstanding of the nature of atoms and molecules and the ways in which they interact with one another. We have been able to give an even briefer outline of some of the applications of the methods of computational chemistry to problems of current interest in chemistry, in astrophysics, in pharmacology, and in molecular biology.作者: vascular 時(shí)間: 2025-3-26 04:11
J. B. Broekaert,J. R. Busemeyerew algorithms that allow for the maximum amount of parallel computation. Developments in computer technology and computer science have had a very significant effect on the computational sciences and in particular on computational chemistry.作者: meditation 時(shí)間: 2025-3-26 04:35
Quality Measures for Palliative Care,own on Earth. This is perhaps not very surprising, since the prevalent conditions in space are very different from those in the terrestrial laboratory. It is in the study of interstellar molecules which are not observed on Earth that we find the main applications of the techniques of computational chemistry in astronomy.作者: reject 時(shí)間: 2025-3-26 12:14
Quality and Safety Improvement in Surgery,etical pharmacologist aims at predicting the biological activity of new drugs that are of the same general type as existing drugs. More ambitiously, he aims to predict entirely new classes of drugs, tailor-made for specific purposes.作者: 正式通知 時(shí)間: 2025-3-26 13:06
Markowitz Without a Risk-Free Asset,e mechanism of muscle contraction, memory processes, the structure of DNA, and thus the very basis of life itself. Eventually, the molecular biologist aims to describe completely, at a molecular level, the essential features of living organisms.作者: Inveterate 時(shí)間: 2025-3-26 20:15
Computers and Computationew algorithms that allow for the maximum amount of parallel computation. Developments in computer technology and computer science have had a very significant effect on the computational sciences and in particular on computational chemistry.作者: MUTED 時(shí)間: 2025-3-27 00:10 作者: 真 時(shí)間: 2025-3-27 03:01
Computational Pharmacologyetical pharmacologist aims at predicting the biological activity of new drugs that are of the same general type as existing drugs. More ambitiously, he aims to predict entirely new classes of drugs, tailor-made for specific purposes.作者: prostatitis 時(shí)間: 2025-3-27 05:44 作者: 隱語 時(shí)間: 2025-3-27 09:35 作者: HEDGE 時(shí)間: 2025-3-27 17:02 作者: Nmda-Receptor 時(shí)間: 2025-3-27 21:46
Simulation of Liquids and Solidsrefore, since the total intermolecular energy is large and of the same order of magnitude as the kinetic energy for these states of matter, the properties depend strongly on the nature of the intermolecular forces.作者: condone 時(shí)間: 2025-3-27 22:14
https://doi.org/10.1007/978-3-030-36595-0es. Furthermore, computers are increasingly being employed to design and optimize the reaction schemes themselves. One area of computational chemistry in which modern supercomputers are proving to be very useful is in the determination of synthetic routes for the production of complex organic molecules.作者: infelicitous 時(shí)間: 2025-3-28 02:54 作者: 同時(shí)發(fā)生 時(shí)間: 2025-3-28 08:21 作者: 圍巾 時(shí)間: 2025-3-28 14:17 作者: Alopecia-Areata 時(shí)間: 2025-3-28 18:28 作者: CHOP 時(shí)間: 2025-3-28 21:37 作者: Afflict 時(shí)間: 2025-3-29 00:16 作者: patella 時(shí)間: 2025-3-29 04:36
Chemical Reactions widely in their aims and objectives. At the microscopic level, computational procedures based on molecular collision theory can be used to investigate chemical reactions at the most fundamental level, the dynamics of the interactions between single pairs of atoms/molecules.These procedures may be b作者: Irksome 時(shí)間: 2025-3-29 08:28
Simulation of Liquids and Solidsr, densities are much higher than in the dilute gas phase and every atom or molecule in the system is always close to a number of other particles. Therefore, since the total intermolecular energy is large and of the same order of magnitude as the kinetic energy for these states of matter, the proper作者: Vulnerable 時(shí)間: 2025-3-29 13:53 作者: 小步舞 時(shí)間: 2025-3-29 17:30
Computational Pharmacologyry, in particular computational quantum chemistry and the method of molecular mechanics, are proving to be of great value. Theoretical pharmacologists aim at rationalizing the relation between the activity of a particular drug, as observed experimentally, and its structural features as derived from
