標(biāo)題: Titlebook: Computational Approaches in Supramolecular Chemistry; Georges Wipff Book 1994 Springer Science+Business Media Dordrecht 1994 Dynamics.Mont [打印本頁] 作者: 僵局 時(shí)間: 2025-3-21 18:36
書目名稱Computational Approaches in Supramolecular Chemistry影響因子(影響力)
書目名稱Computational Approaches in Supramolecular Chemistry影響因子(影響力)學(xué)科排名
書目名稱Computational Approaches in Supramolecular Chemistry網(wǎng)絡(luò)公開度
書目名稱Computational Approaches in Supramolecular Chemistry網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱Computational Approaches in Supramolecular Chemistry被引頻次
書目名稱Computational Approaches in Supramolecular Chemistry被引頻次學(xué)科排名
書目名稱Computational Approaches in Supramolecular Chemistry年度引用
書目名稱Computational Approaches in Supramolecular Chemistry年度引用學(xué)科排名
書目名稱Computational Approaches in Supramolecular Chemistry讀者反饋
書目名稱Computational Approaches in Supramolecular Chemistry讀者反饋學(xué)科排名
作者: apropos 時(shí)間: 2025-3-22 00:12
Ionic Hydrogen Bond Assemblies in Clusters: Resources and Opportunities for Modeling,o large clusters and polydentate systems. The data may be used to estimate IHB interactions between ionic and neutral functional groups in biopolymers. Cluster data also allows the quantitative analysis IHB and hydrophobic contributions to the solvation of protonated amines and oxygen bases. Applica作者: BILK 時(shí)間: 2025-3-22 01:32 作者: DNR215 時(shí)間: 2025-3-22 07:41 作者: interior 時(shí)間: 2025-3-22 10:56
Studies Toward Computer Liquid Phase Simulations of the Solvent-Dependency of Apolar Association Strom apolar to dipolar aprotic, to polar proüc solvents, and to water, the association strength of the complex (.) increases steadily. Calorimetric investigations of thermodynamic properties showed that, in all the solvents studied, the formation of . is enthalpically driven. For a better understandi作者: 柳樹；枯黃 時(shí)間: 2025-3-22 16:09
Rational Approaches Towards Protease Inhibition: Predicting the Binding of Thrombin Inhibitors, of these methods are fairly general and can be readily applied on supramolecular systems. Essential for nearly every method is the availability of an interaction function that is used to rank suggested candidates. Here we report a preliminary evaluation of two methods that allow the prediction of t作者: 柳樹；枯黃 時(shí)間: 2025-3-22 20:16 作者: 土坯 時(shí)間: 2025-3-23 00:15 作者: 無禮回復(fù) 時(shí)間: 2025-3-23 04:13
Computational Aspects in Supramolecular Chemistry: Chiral Discrimination in Chromatography,hes are used to discern where and how chiral discrimination takes place on increasingly more complex chiral stationary phases (CSPs) beginning with simple brush-like CSPs, and continuing to macrocyclic cyclodextrins and chiral polymers like cellulose triacetate. In all cases computational chemistry 作者: STELL 時(shí)間: 2025-3-23 07:15 作者: Commodious 時(shí)間: 2025-3-23 10:51
Structural and Dynamic Features of Molecular Clips Derived from Diphenylglycoluril,ne derivatives are used to form the walls, conformationally rigid clips are obtained, whereas with naphtalene walls the clips can adopt different conformations. Both types of host molecules can bind aromatic guests by hydrogen bonding and π-π stacking interactions. A detailed study of the structures作者: condescend 時(shí)間: 2025-3-23 16:04 作者: slipped-disk 時(shí)間: 2025-3-23 19:22
Metallocycles and -Clefts,pts using first-row transition metals did not lead to the desired receptors but resulted in hetero-di- and hetero-trinuclear complexes. The properties will be discussed. The use of the uranyl cation (UO..) gave metallocycles and -clefts which are able to complex both neutral polar molecules as anion作者: 極肥胖 時(shí)間: 2025-3-24 00:39
Experimental Approaches to Interaction Energies and Structures in Supramolecular Complexes,nd NMR investigations. It is shown how additive increments can be used to describe within limits of sufficient matching between binding sites and of negligible strain variations total ΔG. values for organic ion pairs, inluding DNA groove binders, for crown ether and cryptand complexes with alkali me作者: 白楊魚 時(shí)間: 2025-3-24 06:02 作者: 精致 時(shí)間: 2025-3-24 09:45
Nato Science Series C:http://image.papertrans.cn/c/image/232104.jpg作者: 傳染 時(shí)間: 2025-3-24 13:00
Computational Approaches in Supramolecular Chemistry978-94-011-1058-7Series ISSN 1389-2185 作者: chlorosis 時(shí)間: 2025-3-24 16:30
Mechanical Behaviour of Solder Jointsergy of complexation. In three different examples the role of ligand desolvation, entropies of complexation, weak C-H...O interactions and excited state solvation is highlighted and the extent to which computational methods could in future be applied will be aired.作者: Catheter 時(shí)間: 2025-3-24 19:48 作者: Criteria 時(shí)間: 2025-3-25 00:45 作者: aphasia 時(shí)間: 2025-3-25 03:23 作者: Picks-Disease 時(shí)間: 2025-3-25 09:51 作者: CARK 時(shí)間: 2025-3-25 12:32
Non-Covalent Interactions in Organic Crystals, and the Calibration of Empirical Force Fields,The few principles presently available on the general rules that control the crystal packing of organic molecules are briefly reviewed. The empirical formulations for the calculation of crystal energies are examined. An optimized force field of rather general applicability is introduced and discussed.作者: 熱心助人 時(shí)間: 2025-3-25 19:48 作者: 集合 時(shí)間: 2025-3-25 23:46 作者: 潔凈 時(shí)間: 2025-3-26 00:16
Receptor-Ligand Interactions in Pharmacology and Drug Design,Using primary sequence analysis and experimental data, 3D models of G protein-coupled receptors have been defined. They allow a qualitative description of the neurotransmitter binding site and represent a source of novel, important working hypotheses. A number of experimental results have already validated the model.作者: 誰在削木頭 時(shí)間: 2025-3-26 05:36 作者: 誘惑 時(shí)間: 2025-3-26 08:53 作者: ORE 時(shí)間: 2025-3-26 13:13 作者: NOCT 時(shí)間: 2025-3-26 18:34
M. A. Azizi,A. A. Fahad,S. A. Rahimaham, based on Gibbs energies, and the hydrogen-bond acidity and basicity scales of Raevsky, based on enthalpies. Such scales may not be appropriate for situations in which the solute is surrounded by solvent molecules, and then the effective or summation hydrogen-bond acidity and basicity descripto作者: Tidious 時(shí)間: 2025-3-26 23:31
B. Szymczyk,G. Lesiuk,A. Zi?ty,J. Warychanosine with a synthetic receptor for dinucleotides, and of L-phenylalanine and L-tryptophan with an enantioselective receptor for aromatic L-amino acids. The structures have been optimized by energy minimization techniques and further subjected to molecular dynamics simulations at room temperature. 作者: osculate 時(shí)間: 2025-3-27 01:18 作者: 災(zāi)難 時(shí)間: 2025-3-27 07:32
M. F. Mahmod,Elmi Abu Bakar,A. R. Othman of these methods are fairly general and can be readily applied on supramolecular systems. Essential for nearly every method is the availability of an interaction function that is used to rank suggested candidates. Here we report a preliminary evaluation of two methods that allow the prediction of t作者: 種植,培養(yǎng) 時(shí)間: 2025-3-27 12:20 作者: 含糊 時(shí)間: 2025-3-27 16:29
Introduction to the Properties of Materialssis for it? There are two possible sources for this — covalent, where certain guests have the appropriate groups to form stronger covalent chemical bonds with the host than do others; or non-covalent, where the stronger binding of certain guests to the host is due to a combination of electrostatic a作者: 泥沼 時(shí)間: 2025-3-27 19:35
Mechanical Behaviour of Solder Jointshes are used to discern where and how chiral discrimination takes place on increasingly more complex chiral stationary phases (CSPs) beginning with simple brush-like CSPs, and continuing to macrocyclic cyclodextrins and chiral polymers like cellulose triacetate. In all cases computational chemistry 作者: 一個(gè)姐姐 時(shí)間: 2025-3-28 00:40
Mechanical Behaviour of Solder Jointsibution is calculated at the beginning of each simulation that is used to assemble the PMF energy profile. This charge distribution reflects the environment of the ionophore (i.e. the proximity of the ion and solvent). and we have tested this method on the association of K. with 18-crown-6 in methan作者: 輕快走過 時(shí)間: 2025-3-28 05:03 作者: 肥料 時(shí)間: 2025-3-28 06:20
Mechanical Behaviour of Solder Jointsergy of complexation. In three different examples the role of ligand desolvation, entropies of complexation, weak C-H...O interactions and excited state solvation is highlighted and the extent to which computational methods could in future be applied will be aired.作者: 準(zhǔn)則 時(shí)間: 2025-3-28 13:29
Reliability and Statistical Analysis of Datapts using first-row transition metals did not lead to the desired receptors but resulted in hetero-di- and hetero-trinuclear complexes. The properties will be discussed. The use of the uranyl cation (UO..) gave metallocycles and -clefts which are able to complex both neutral polar molecules as anion作者: Hyperalgesia 時(shí)間: 2025-3-28 15:31 作者: Nomadic 時(shí)間: 2025-3-28 20:50
W. J. Plumbridge,R. J. Matela,A. Westwatervity and efficiency in metal ion recognition by calixarene-based ligands. The combination of polar binding groups (ester and amide) on a polar calixarene structure (cone) produces ionophores which are selective toward cations with high charge density such as sodium and calcium. In calix[4]arene crow作者: 沙發(fā) 時(shí)間: 2025-3-29 00:39 作者: dry-eye 時(shí)間: 2025-3-29 06:34 作者: foliage 時(shí)間: 2025-3-29 10:34 作者: Bone-Scan 時(shí)間: 2025-3-29 12:21
W. J. Plumbridge,R. J. Matela,A. Westwatertals, and for porphyrin associations. The important role as well as deficiencies of force field methods within this LFER-type of analysis of non-covalent interactions is discussed, also with respect to semiempirical NMR shielding calculations.作者: Biofeedback 時(shí)間: 2025-3-29 18:34 作者: antiquated 時(shí)間: 2025-3-29 22:07 作者: evince 時(shí)間: 2025-3-30 03:54
Mechanical Properties of Bulk Soldersin water. Calculations of potentials of mean force predict complexes to exist in each case at contact separations. The energetics and optimal structures for the gas-phase complexes have also been characterized. Differences with the solution structures are discussed along with general implications for host-guest chemistry.作者: 要素 時(shí)間: 2025-3-30 04:42 作者: GRIEF 時(shí)間: 2025-3-30 09:07 作者: 條街道往前推 時(shí)間: 2025-3-30 15:55 作者: 纖細(xì) 時(shí)間: 2025-3-30 20:15 作者: FAST 時(shí)間: 2025-3-30 22:33 作者: 你敢命令 時(shí)間: 2025-3-31 04:53 作者: jettison 時(shí)間: 2025-3-31 05:31 作者: GUILE 時(shí)間: 2025-3-31 10:24 作者: HEPA-filter 時(shí)間: 2025-3-31 14:16 作者: 宿醉 時(shí)間: 2025-3-31 20:23
Introduction to the Properties of Materialsmolecular recognition of organic hosts by small neutral and ionic molecular guests from 1982-present. This enables us to give an historical perspective on the evolution of computational techniques as well as describing the increase in our understanding of molecular recognition.作者: calamity 時(shí)間: 2025-4-1 00:34
Molecular Recognition of Dinucleotides and Amino Acids by Artificial Receptors Containing a Bicycli and guest molecules in the bound state. The relative contributions of each constitutive block to the binding enthalpies have been dissected. This knowledge should aid in our understanding of the forces involved in molecular recognition and in the design of improved novel receptors.作者: 充氣球 時(shí)間: 2025-4-1 02:04
The Nature of Molecular Recognition: Examples from Host/Guest Chemistry,molecular recognition of organic hosts by small neutral and ionic molecular guests from 1982-present. This enables us to give an historical perspective on the evolution of computational techniques as well as describing the increase in our understanding of molecular recognition.作者: Femine 時(shí)間: 2025-4-1 09:37
Book 1994l features of chemical species of higher complexity, that are held together and organized by means of intermolecular (noncovalent) binding interactions" (Science, 1993). Recognition, reactivity, and transport represent three basic functional features, in essence dynami~s, which may be translated int作者: 過份好問 時(shí)間: 2025-4-1 11:42 作者: Middle-Ear 時(shí)間: 2025-4-1 14:20 作者: 豎琴 時(shí)間: 2025-4-1 21:38
Book 1994uters in chemistry, such as automation, simulation of processes, procedures for fitting kinetic or thermodynamic data, computer assisted synthetic strategies, use of data bases for structure elucidation or for bibliographic searches, have an obvious impact in supramolecular chemistry as well, but we作者: Hyperlipidemia 時(shí)間: 2025-4-2 02:25 作者: 展覽 時(shí)間: 2025-4-2 03:19 作者: 逢迎春日 時(shí)間: 2025-4-2 07:44
