標題: Titlebook: Quantum Mechanical Simulation Methods for Studying Biological Systems; Les Houches Workshop Dominique Bicout,Martin Field Conference procee [打印本頁] 作者: Embolism 時間: 2025-3-21 17:16
書目名稱Quantum Mechanical Simulation Methods for Studying Biological Systems影響因子(影響力)
書目名稱Quantum Mechanical Simulation Methods for Studying Biological Systems影響因子(影響力)學科排名
書目名稱Quantum Mechanical Simulation Methods for Studying Biological Systems網絡公開度
書目名稱Quantum Mechanical Simulation Methods for Studying Biological Systems網絡公開度學科排名
書目名稱Quantum Mechanical Simulation Methods for Studying Biological Systems被引頻次
書目名稱Quantum Mechanical Simulation Methods for Studying Biological Systems被引頻次學科排名
書目名稱Quantum Mechanical Simulation Methods for Studying Biological Systems年度引用
書目名稱Quantum Mechanical Simulation Methods for Studying Biological Systems年度引用學科排名
書目名稱Quantum Mechanical Simulation Methods for Studying Biological Systems讀者反饋
書目名稱Quantum Mechanical Simulation Methods for Studying Biological Systems讀者反饋學科排名
作者: ALT 時間: 2025-3-21 21:06 作者: 開始沒有 時間: 2025-3-22 03:34 作者: entreat 時間: 2025-3-22 05:18
Conference proceedings 1996recent years. It covers quantum mechanical calculations of large systems, molecular dynamics combining quantum and classical algorithms, quantum dynamical simulations, and electron and proton transfer processes in proteins and in solutions.作者: delusion 時間: 2025-3-22 12:35 作者: 貨物 時間: 2025-3-22 12:58
Conference proceedings 1996chemistry, and physics. Such understanding involves study of biomacromolecules and their functions, which includes how they interact, their reactions, and how information is transmitted between them. This volume is devoted to quantum mechanical simulation techniques, which have developed rapidly in 作者: 破譯 時間: 2025-3-22 18:21
Practical Density Functional Approaches in Chemistry and Biochemistry,electron correlation in a molecular orbital approach that is even simpler than HartreeFock has made density functional theory very attractive to modellers in these fields. The search for improved exchange-correlation energy functionals and the development of efficient density functional codes contin作者: 束以馬具 時間: 2025-3-22 21:29
A Quantum Chemical View of the Initial Photochemical Event in Photosynthesis,rs and starches. This process is responsible for essentially all of the carbon atomic fixation on our planet — for essentially all of the biomass on earth. Quite literally, the earths atmosphere has been converted from one of reducing power to one of oxidizing power by photosynthesis. Without the ef作者: travail 時間: 2025-3-23 04:38 作者: 征稅 時間: 2025-3-23 08:50 作者: 整理 時間: 2025-3-23 10:44
Quantum Dynamics Simulation of a Small Quantum System Embedded in a Classical Environment,ons between states. Our interest is in such processes occurring in a complex environment that modulates the quantum process and interacts with it. Examples are proton and electron transfer processes in the condensed phase (in solution or in a macromolecular environment) or optical excitation and rel作者: 隨意 時間: 2025-3-23 16:14 作者: 橡子 時間: 2025-3-23 22:00
Biological Electron Transfer: Measurement, Mechanism, Engineering Requirements,gy into the other forms of energy that drive biosynthesis throughout the cell. More than thirty years ago, Mitchell [1] sketched out a chemiosmotic mechanism that captured the essence of the operation of the electron transfer membranes in respiration and photosynthesis. In the chemiosmotic model, el作者: Agnosia 時間: 2025-3-24 01:57
The Photodetachment of an Electron from a Chloride Ion in Water Studied by Quantum Molecular Dynamiound excited states which are no property of the ion, but exist due to the stabilizing potential created by the surrounding solvent molecules. Therefore an electron promoted to these so-called charge transfer to solvent (CTTS) states [1] is not bound to the ion and could eventually separate from the作者: Morsel 時間: 2025-3-24 06:19
Quantum Chemistry of , Retinal: Study of the Spectral Properties and Dark Adaptation of Bacteriorhol surface of retinal in the binding site of bacteriorhodopsin (bR). The CASSCF(6,9)/6–31G level of “ab initio” calculations (within Gaussian92) has been used for the treatment of both the ground (SO) and excited (S1) states of retinal. Charges of all atoms in the protein are represented by spherical作者: ETHER 時間: 2025-3-24 10:13
Towards an Understanding of Quantum Factors in Small Ligand Geminate Recombination to Heme Proteinsa of research stem from the fundamental role of oxygen transport/storage processes in living organisms. The basic property of hemoglobins is their ability of reversible binding of oxygen and other small ligands (L) like CO and NO [1]. After a complex travel through the protein matrix (P) ([2], [3]) 作者: 反省 時間: 2025-3-24 12:58 作者: 宣稱 時間: 2025-3-24 17:57 作者: Insubordinate 時間: 2025-3-24 20:53
Practical Density Functional Approaches in Chemistry and Biochemistry,lers in these fields. The search for improved exchange-correlation energy functionals and the development of efficient density functional codes continues to be an active field of research among the density functional experts.作者: preservative 時間: 2025-3-25 00:35 作者: archenemy 時間: 2025-3-25 06:36 作者: 拔出 時間: 2025-3-25 07:47
Curve Crossing in a Protein: Coupling of the Elementary Quantum Process to Motions of the Protein,to the temporal variations of ..(.) and ..(.). In this rather typical case the actual reaction process is confined to moments when the two electronic states become energetically degenerate [..(.) = ..(.)] or, to use a widely accepted phrase, when the curves .. and .. cross.作者: brassy 時間: 2025-3-25 11:53 作者: ARK 時間: 2025-3-25 17:09 作者: 尖 時間: 2025-3-25 23:48 作者: 強所 時間: 2025-3-26 00:34
Biological Electron Transfer: Measurement, Mechanism, Engineering Requirements,rm electrically neutral species, such as hydroquinone. These can move to corresponding sites at the other side of the membrane and release protons, converting redox potential energy into a transmembrane proton gradient. Electrons are guided back across the membrane to electrical charge the membrane 作者: 情感 時間: 2025-3-26 04:31 作者: 大喘氣 時間: 2025-3-26 10:02 作者: Guileless 時間: 2025-3-26 13:40
K. Schulten The operational control of complaint management tasks can be carried out using the Complaint Management Index (BMI) which provides a quick overview of to what degree the defined quality and productivity targets have been reached..Cost-benefit-controlling serves to assess the profitability of compla作者: beta-carotene 時間: 2025-3-26 20:53
H. J. C. Berendsen,J. Mavrivecomputationalgeometryforcurvesandsurfaces. This book covers two main approaches. In a ?rst part, we discuss exact geometric algorithms for curves and s- faces. We revisit two prominent data structures of computational geometry, namely arrangements (Chap. 1) and Voronoi diagrams (Chap. 2) in order 作者: 無法治愈 時間: 2025-3-27 00:16
J. J. Regan,J. N. Onuchicvecomputationalgeometryforcurvesandsurfaces. This book covers two main approaches. In a ?rst part, we discuss exact geometric algorithms for curves and s- faces. We revisit two prominent data structures of computational geometry, namely arrangements (Chap. 1) and Voronoi diagrams (Chap. 2) in order 作者: 過度 時間: 2025-3-27 04:46 作者: 漂泊 時間: 2025-3-27 06:14 作者: follicular-unit 時間: 2025-3-27 10:03 作者: 異教徒 時間: 2025-3-27 16:45
nteractions, among project teams, issues of their performance and information-sharing behaviours across various procurement typologies are yet to be explored as a strategic tool towards effective communication. In the current state of the industry, there is also growing recognition of the need to un作者: 不愛防注射 時間: 2025-3-27 21:13 作者: Obliterate 時間: 2025-3-28 00:36
I. Logunov,K. Schultensit two prominent data structures of computational geometry, namely arrangements (Chap. 1) and Voronoi diagrams (Chap. 2) in order 978-3-642-06987-1978-3-540-33259-6Series ISSN 1612-3786 Series E-ISSN 2197-666X 作者: 高射炮 時間: 2025-3-28 04:49 作者: Oligarchy 時間: 2025-3-28 06:37
M. P. Merrick,K. A. Iyer,T. L. Becksit two prominent data structures of computational geometry, namely arrangements (Chap. 1) and Voronoi diagrams (Chap. 2) in order 978-3-642-06987-1978-3-540-33259-6Series ISSN 1612-3786 Series E-ISSN 2197-666X 作者: 定點 時間: 2025-3-28 14:03 作者: 表示向前 時間: 2025-3-28 17:53
Quantum Mechanical Simulation Methods for Studying Biological SystemsLes Houches Workshop作者: conjunctivitis 時間: 2025-3-28 20:36 作者: 胰島素 時間: 2025-3-28 23:27 作者: Highbrow 時間: 2025-3-29 06:57
Symmetry-Oriented Research of Polymers PC Program , and DNA,Due to the complexity of polymeric molecules, with many atoms mutually interacting by different types of interactions, their rigorous quantum mechanical description is very complicated. To this end, various approximations have been established.作者: 佛刊 時間: 2025-3-29 08:00 作者: prick-test 時間: 2025-3-29 13:59 作者: Desert 時間: 2025-3-29 18:24
https://doi.org/10.1007/978-3-662-09638-3Electron Transfer; Molecular Dynamics; Photochemistry; algorithms; density functional theory; molecule; ph作者: Accolade 時間: 2025-3-29 20:50 作者: 北京人起源 時間: 2025-3-30 03:20 作者: Promotion 時間: 2025-3-30 06:55
H. J. C. Berendsen,J. Mavrins tobasicgeometricproblemsincludingconstructionsofdatastructures,convex hulls, triangulations, Voronoi diagrams and geometric arrangements as well as geometric optimisation. However, in the mid-nineties, it was recognized that the computational geometry techniques were far from satisfactory in prac作者: 蔓藤圖飾 時間: 2025-3-30 11:59
J. J. Regan,J. N. Onuchicns tobasicgeometricproblemsincludingconstructionsofdatastructures,convex hulls, triangulations, Voronoi diagrams and geometric arrangements as well as geometric optimisation. However, in the mid-nineties, it was recognized that the computational geometry techniques were far from satisfactory in prac作者: 晚間 時間: 2025-3-30 15:11 作者: legislate 時間: 2025-3-30 19:46
A. Staib,D. Borgisns tobasicgeometricproblemsincludingconstructionsofdatastructures,convex hulls, triangulations, Voronoi diagrams and geometric arrangements as well as geometric optimisation. However, in the mid-nineties, it was recognized that the computational geometry techniques were far from satisfactory in prac
