標(biāo)題: Titlebook: Computational Advances in Organic Chemistry: Molecular Structure and Reactivity; Cemil ?gretir,Imre G. Csizmadia Book 1991 Springer Scienc [打印本頁(yè)] 作者: 二足動(dòng)物 時(shí)間: 2025-3-21 17:31
書目名稱Computational Advances in Organic Chemistry: Molecular Structure and Reactivity影響因子(影響力)
書目名稱Computational Advances in Organic Chemistry: Molecular Structure and Reactivity影響因子(影響力)學(xué)科排名
書目名稱Computational Advances in Organic Chemistry: Molecular Structure and Reactivity網(wǎng)絡(luò)公開度
書目名稱Computational Advances in Organic Chemistry: Molecular Structure and Reactivity網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱Computational Advances in Organic Chemistry: Molecular Structure and Reactivity被引頻次
書目名稱Computational Advances in Organic Chemistry: Molecular Structure and Reactivity被引頻次學(xué)科排名
書目名稱Computational Advances in Organic Chemistry: Molecular Structure and Reactivity年度引用
書目名稱Computational Advances in Organic Chemistry: Molecular Structure and Reactivity年度引用學(xué)科排名
書目名稱Computational Advances in Organic Chemistry: Molecular Structure and Reactivity讀者反饋
書目名稱Computational Advances in Organic Chemistry: Molecular Structure and Reactivity讀者反饋學(xué)科排名
作者: 伴隨而來(lái) 時(shí)間: 2025-3-21 22:26
Post-SCF methods: Theory and Practice,es are divided into roughly two parts..In the first part, we shall discuss the physical and theoretical basis of dynamic and non-dynamic electron correlation so that a sound foundation can be established for deciding which method is likely to be reliable for a given chemical problem. For this purpos作者: follicle 時(shí)間: 2025-3-22 04:28 作者: 受人支配 時(shí)間: 2025-3-22 06:28
Some New Theoretical Methods for Treating Reaction Dynamics in Polyatomic Molecular Systems,ximated as a multidimensional harmonic valley about a (curved) line in the 3N-6 dimensional space of the N atom system along which the motion is thought to be most localized. These lectures briefly review this reaction path methodology, but then focus mainly on some more recent approaches that go be作者: Indecisive 時(shí)間: 2025-3-22 11:40 作者: Bravura 時(shí)間: 2025-3-22 15:37
Calculation of Photochemical Reactivity. Oligosilanes as an Illustration,f barriers, minima and funnels in the and S. and T. surfaces. Non-spectroscopic minima often occur at biradicaloid geometries and elementary photochemical reaction steps can be classified according to the nature of the biradicaloid minimum through which the return to the S. state occurs. In simple c作者: Bravura 時(shí)間: 2025-3-22 17:18
New Opportunities for the Organic Chemist in the Computer Age, use of statistical methods to study GC retention factors are covered. Semiempirical methods are used to study the tautomeric equilibria of heteroaromatic compounds in solution. The review ends with a brief overview of molecule and reaction databases.作者: 不容置疑 時(shí)間: 2025-3-22 22:14
Laterally Loaded Unreinforced Walls,ding damping, level shifting, extrapolation, univariate search, direct inversion of iterative subspace (DIIS) and quadratically convergent SCF. Techniques for constructing better initial guess MO’s are also considered.作者: inferno 時(shí)間: 2025-3-23 03:48
Reinforced and Prestressed Brickwork,practical point of view. Our objective here is to enable the organic chemist to make a sensible choice amongst the extensive standard software for the particular problem under consideration, given the accuracy/cost dilemmas involved. The choice between single and multi-reference methods at the SCF (作者: 吞噬 時(shí)間: 2025-3-23 07:18 作者: GLOOM 時(shí)間: 2025-3-23 12:12 作者: 通情達(dá)理 時(shí)間: 2025-3-23 17:06 作者: 無(wú)法治愈 時(shí)間: 2025-3-23 18:24
Post-SCF methods: Theory and Practice,practical point of view. Our objective here is to enable the organic chemist to make a sensible choice amongst the extensive standard software for the particular problem under consideration, given the accuracy/cost dilemmas involved. The choice between single and multi-reference methods at the SCF (作者: Presbyopia 時(shí)間: 2025-3-23 23:49 作者: micronutrients 時(shí)間: 2025-3-24 05:42 作者: 暴發(fā)戶 時(shí)間: 2025-3-24 07:42 作者: single 時(shí)間: 2025-3-24 13:59 作者: 生命 時(shí)間: 2025-3-24 18:37 作者: 智力高 時(shí)間: 2025-3-24 22:22
Anna Wzi?tek-Kubiak,Dariusz Winekn an empirical valence bond model in order to construct a .potential energy surface for polyatomic reactions. Two other topics that are discussed are a new way of handling zero point energy in a classical trajectory simulation of polyatomic dynamics and a new model for including tunneling effects in a trajectory simulation.作者: Cytology 時(shí)間: 2025-3-24 23:23
Some New Theoretical Methods for Treating Reaction Dynamics in Polyatomic Molecular Systems,n an empirical valence bond model in order to construct a .potential energy surface for polyatomic reactions. Two other topics that are discussed are a new way of handling zero point energy in a classical trajectory simulation of polyatomic dynamics and a new model for including tunneling effects in a trajectory simulation.作者: promote 時(shí)間: 2025-3-25 04:35 作者: murmur 時(shí)間: 2025-3-25 10:51 作者: paradigm 時(shí)間: 2025-3-25 14:59 作者: circuit 時(shí)間: 2025-3-25 18:45
Structural Change in Macroeconomic Modelse of an external perturbation, such as that introduced by an electric field, the perturbation belongs also to a correct representation of the reaction coordinate, which cannot be defined exclusively in terms of internal parameters of the chemical system. This new concept opens the possibility of catalyzing a reaction without any catalyst.作者: Affiliation 時(shí)間: 2025-3-25 22:15
https://doi.org/10.1007/978-94-011-3262-6catalysis; chemical reaction; organic chemistry; structure作者: 過(guò)多 時(shí)間: 2025-3-26 01:50 作者: Crumple 時(shí)間: 2025-3-26 07:08
Laterally Loaded Unreinforced Walls,et of MO’s (i.e. the SCF method). When iterations of the SCF process converge, the energy is stationary with respect to infinitesmal variations in the orbitals. Whether this stationary point is stable (a local minimum) or unstable (a maximum in one or more directions) depends on the second derivativ作者: climax 時(shí)間: 2025-3-26 10:40
Reinforced and Prestressed Brickwork,es are divided into roughly two parts..In the first part, we shall discuss the physical and theoretical basis of dynamic and non-dynamic electron correlation so that a sound foundation can be established for deciding which method is likely to be reliable for a given chemical problem. For this purpos作者: inflate 時(shí)間: 2025-3-26 14:37 作者: misshapen 時(shí)間: 2025-3-26 18:29
Anna Wzi?tek-Kubiak,Dariusz Winekximated as a multidimensional harmonic valley about a (curved) line in the 3N-6 dimensional space of the N atom system along which the motion is thought to be most localized. These lectures briefly review this reaction path methodology, but then focus mainly on some more recent approaches that go be作者: apiary 時(shí)間: 2025-3-26 22:15
Structural Change in Macroeconomic Modelsesses. The acidcatalyzed hydrogenation of ethylene, the Friedel-Crafts reaction and the charge transfer processes catalyzed by external electric fields have been selected as examples ranging from a large to a small intervention of the catalyst in the internal reaction coordinate. In the extremum cas作者: 心神不寧 時(shí)間: 2025-3-27 03:43 作者: 不可接觸 時(shí)間: 2025-3-27 09:21
Charles Pearson,Maynard Hufschmidt use of statistical methods to study GC retention factors are covered. Semiempirical methods are used to study the tautomeric equilibria of heteroaromatic compounds in solution. The review ends with a brief overview of molecule and reaction databases.作者: 無(wú)節(jié)奏 時(shí)間: 2025-3-27 11:40
New Opportunities for the Organic Chemist in the Computer Age, use of statistical methods to study GC retention factors are covered. Semiempirical methods are used to study the tautomeric equilibria of heteroaromatic compounds in solution. The review ends with a brief overview of molecule and reaction databases.作者: Fecal-Impaction 時(shí)間: 2025-3-27 17:33
Nato Science Series C:http://image.papertrans.cn/c/image/232080.jpg作者: Mosaic 時(shí)間: 2025-3-27 21:45
Computational Advances in Organic Chemistry: Molecular Structure and Reactivity978-94-011-3262-6Series ISSN 1389-2185 作者: Physiatrist 時(shí)間: 2025-3-27 22:18 作者: Gobble 時(shí)間: 2025-3-28 04:47
https://doi.org/10.1007/978-1-349-16673-2Throughout the years some magic has been attached to everything that is theoretical in chemistry and by now a certain amount of mythology has evolved around Quantum Chemistry as it may be applied to study organic problems. For this reason some demythologization is in order. This is hoped to be achieved in five brief statements.作者: Medicaid 時(shí)間: 2025-3-28 06:25
Sayema Haque Bidisha,Selim RaihanThe basic equations of the semi-empirical methods of quantum chemistry are developed and the most commonly used approximations are given and their utility in solving chemical problems is dicussed. The principles of molecular mechanics are presented with a special emphasis on the molecular force field and on the possible chemical applications.作者: BRINK 時(shí)間: 2025-3-28 12:11
Some Fundamentals of Molecular Orbital Computations,Throughout the years some magic has been attached to everything that is theoretical in chemistry and by now a certain amount of mythology has evolved around Quantum Chemistry as it may be applied to study organic problems. For this reason some demythologization is in order. This is hoped to be achieved in five brief statements.作者: 背景 時(shí)間: 2025-3-28 15:27
Molecular Modelling. Semi-Empirical and Empirical Methods of Theoretical Chemistry,The basic equations of the semi-empirical methods of quantum chemistry are developed and the most commonly used approximations are given and their utility in solving chemical problems is dicussed. The principles of molecular mechanics are presented with a special emphasis on the molecular force field and on the possible chemical applications.作者: Freeze 時(shí)間: 2025-3-28 20:19 作者: 不連貫 時(shí)間: 2025-3-29 00:31
Routes to Ocean Sustainability and Blue Prosperity in a Changing World: Guiding Principles and Open In December 2017, the United Nation decided to proclaim the United Nations Decade of Ocean Science for Sustainable Development for the 10-year period beginning on 1 January 2021.作者: Lumbar-Stenosis 時(shí)間: 2025-3-29 03:47
Design of Deep Braced Excavation and Earth Retaining Systems Under Complex Built EnvironmentTheories and Case St
