bluuebunny/crossref_metadata_2025_split huggingface dataset:
Korrosionsmonitoring und Bruchortung in Spannbetonbauwerken – Möglichkeiten und Grenzen
Authors: Holst Alexander , Budelmann Harald , Hariri Karim , Wichmann Hans‐Joachim 
Published: November 2007

AbstractKorrosive Einflüsse können die dauerhafte Funktionsfähigkeit der Spannglieder in Spannbetontragwerken beeinträchtigen und zum katastrophalen Bauteilversagen führen. Die Aufgabe der Zustandserfassung bei vorgespannten Bauteilen ist daher, vorhandene Defekte und Schäden der Spannglieder, wie z. B. Verpressfehler, Korrosion und Spanndrahtbrüche, rechtzeitig und zuverlässig zu detektieren. Für die objektive Früherkennung von Korrosionsschäden an Spanngliedern ist die Bauwerksüberwachung (Monitoring) auf der Grundlage von zerstörungsfreien Prüf‐ und Messtechniken prädestiniert.In diesem Beitrag werden zunächst die Ursachen der Spanngliedkorrosion im Spannbetonbrückenbau benannt sowie Vorteile und Strategie eines Korrosionsmonitorings dargelegt. Anschließend wird der Stand der Forschung und Technik zur zerstörungsfreien Erfassung des Korrosionszustands und von Brüchen an Brückenspanngliedern mit deren Möglichkeiten und Grenzen diskutiert. In diesem Zusammenhang werden auch einige von den Verfassern im Rahmen des Sonderforschungsbereichs (SFB)477 “Bauwerksüberwachung” am iBMB entwickelte innovative Sensoren und Messverfahren vorgestellt.
Probabilistische Modellierung hochfester Stahlbetonstützen in Hochhäusern
Authors: Schmidt Holger , Six Michael 
Published: November 2007

AbstractIn Deutschland wird hochfester Beton bereits seit Anfang der 1990er Jahre erfolgreich eingesetzt. Insbesondere bei Stahlbetonstützen in Hochhäusern ermöglicht die extrem hohe Druckfestigkeit dieses Baustoffs eine deutliche Querschnittsreduzierung, wodurch architektonisch und funktional anspruchsvolle Anforderungen gleichermaßen erfüllt werden können. Dies führt in vielen Fällen zu sehr schlanken und damit stabilitätsgefährdeten Tragsystemen. Aufgrund der bisher positiven Erfahrungen mit hochfestem Beton werden im Rahmen der vorliegenden Untersuchungen die ursprünglich konservativen Bemessungsansätze kritisch hinterfragt. In diesem Zusammenhang werden die normativen Regelungen in DIN 1055‐3 und DIN 1045‐1 mit den Ergebnissen einer Bemessung auf probabilistischer Basis verglichen und diesbezüglich Optimierungspotentiale aufgezeigt.
Historische Inspektionstätigkeiten im Ingenieurwesen
Authors: Santa Ulrich , Bergmeister Konrad , Strauss Alfred 
Published: November 2007

AbstractDie Erhaltung und Inspektionen von Bauwerken treten zunehmend aufgrund von Berichterstattungen bezüglich Strukturversagen in das Interesse unserer Gesellschaft. Waren früher das Vertrauen in Technik und ihre Möglichkeiten nahezu unbegrenzt, so sind aktuelle Ereignisse im Naturgefahrenbereich und im Infrastrukturbereich Anlass zur kritischen Beleuchtung der Technikgläubigkeit. Infolge werden verstärkt Aufrufe für eine kontinuierliche Prüfung bzw. Inspektion hörbar. Inspektionen und Erhaltungsstrategien im Ingenieursbereich sind jedoch nicht eine Erscheinung unserer Zeit. Dieser Aufsatz soll einige gegenwärtige und vergangene Entwicklungen der Erhaltungs‐ und Inspektionstätigkeit im Ingenieurswesen aufzeigen.
Catalyst Parameters Determining Activity and Selectivity of Supported Gold Nanoparticles for the Aerobic Oxidation of Alcohols: The Molecular Reaction Mechanism
Authors: Abad Alberto , Corma Avelino , García Hermenegildo 
Published: November 2007

AbstractAs previously reported for for solventless reactions, gold nanoparticles supported on ceria are also excellent general heterogeneous catalysts for the aerobic oxidations of alcohols in organic solvents. Among organic solvents it was found that toluene is a convenient one. A systematic study on the influence of the particle size and gold content on the support has established that the activity correlates linearly with the total number of external gold atoms, and with the surface coverage of the support. Amongst catalysts with different supports, but similar gold particle size and content, gold on ceria exhibits the highest activity. By means of a kinetic study (influence of σ+ parameter, kinetic isotopic effect, temperature, alcohol concentration and oxygen pressure) a mechanistic proposal consisting of the formation of metal–alcoholate, β‐hydride shift from carbon to metal and MH oxidation has been proposed that explains all experimental results.
A Combination of Lacunary Polyoxometalates and High‐Nuclear Transition‐Metal Clusters under Hydrothermal Conditions. Part II: From Double Cluster, Dimer, and Tetramer to Three‐Dimensional Frameworks
Authors: Zhao Jun‐Wei , Jia Hong‐Peng , Zhang Jie , Zheng Shou‐Tian , Yang Guo‐Yu 
Published: November 2007

AbstractThe hydrothermal reactions of trivacant Keggin A‐α‐XW9O34 polyoxoanions (X=PV/SiIV) with transition‐metal ions (NiII/CuII/FeII) in the presence of amines result in eight novel high‐nuclear transition‐metal‐substituted polyoxotungstates [{Ni7(μ3‐OH)3O2(dap)3(H2O)6}(B‐α‐PW9O34)][{Ni6(μ3‐OH)3(dap)3(H2O)6}(B‐α‐PW9O34)][Ni(dap)2(H2O)2]⋅4.5 H2O (1), [Cu(dap)(H2O)3]2[{Cu8(dap)4(H2O)2}(B‐α‐SiW9O34)2]⋅6 H2O (2), (enH2)3H15[{FeII1.5FeIII12(μ3‐OH)12(μ4‐PO4)4}(B‐α‐PW9O34)4]⋅ca.130 H2O (3), [{Cu6(μ3‐OH)3(en)3 (H2O)3}(B‐α‐PW9O34)]⋅7 H2O (4), [{Ni6(μ3‐OH)3(en)3(H2O)6}(B‐α‐PW9O34)]⋅7 H2O (5), [{Ni6(μ3‐OH)3(en)2(H2O)8}(B‐α‐PW9O34)]⋅7 H2O (6), [{Ni6(μ3‐OH)3(dap)2(H2O)8}(B‐α‐PW9O34)]⋅ 7 H2O (7), and [{Ni6(μ3‐OH)3(en)3(H2O)6}(B‐α‐SiW9O34)][Ni0.5(en)]⋅ 3.5 H2O (8) (en=ethylenediamine, dap=1,2‐diaminopropane). These compounds have been structurally characterized by elemental analyses, IR spectra, diffuse reflectance spectra, thermogravimatric analysis, and X‐ray crystallography. The double‐cluster complex of phosphotungstate 1 simultaneously contains hepta‐ and hexa‐NiII‐substituted trivacant Keggin units [{Ni7(μ3‐OH)3O2(dap)3(H2O)6}(B‐α‐PW9O34)]2− and [{Ni6(μ3‐OH)3(dap)3(H2O)6}(B‐α‐PW9O34)]. The dimeric silicotungstate 2 is built up from two trivacant Keggin [B‐α‐SiW9O34]10− fragments linked by an octa‐CuII cluster. The main skeleton of 3 is a tetrameric cluster constructed from four tri‐FeIII‐substituted [FeIII3(μ3‐OH)3(B‐α‐PW9 O34)]3− Keggin units linked by a central FeII4O4 cubane core and four μ4‐PO4 bridges. Complex 4 is an unprecedented three‐dimensional extended architecture with hexagonal channels built by hexa‐CuII clusters and trivacant Keggin [B‐α‐PW9O34]9− fragments. The common feature of 5–8 is that they contain a B‐α‐isomeric trivacant Keggin fragment capped by a hexa‐NiII cluster, very similar to the hexa‐NiII‐substituted trivacant Keggin unit in 1. Magnetic measurements illustrate that 1, 2, and 5 have ferromagnetic couplings within the magnetic metal centers, whereas 3 and 4 reveal the antiferromagnetic exchange interactions within the magnetic metal centers. Moreover, the magnetic behavior of 4 and 5 have been theoretically simulated by the MAGPACK magnetic program package.
Mechanistically Diverse Copper‐, Silver‐, and Gold‐Catalyzed Acyloxy and Phosphatyloxy Migrations: Efficient Synthesis of Heterocycles via Cascade Migration/Cycloisomerization Approach.
Authors: Schwier Todd , Sromek Anna W. , Yap Dahrika M. L. , Chernyak Dmitri , Gevorgyan Vladimir 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
A Novel, Facile Route to β‐Fluoroamines by Hydrofluorination Using Superacid HF—SbF5.
Authors: Thibaudeau Sebastien , Martin‐Mingot Agnes , Jouannetaud Marie‐Paule , Karam Omar , Zunino Fabien 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Lewis Base Activation of Lewis Acids: Catalytic, Enantioselective Vinylogous Aldol Addition Reactions.
Authors: Denmark Scott E. , Heemstra John R. Jr. 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
The Synthesis of Amines by the Homogeneous Hydrogenation of Secondary and Primary Amides.
Authors: Nunez Magro Angel A. , Eastham Graham R. , Cole‐Hamilton David J. 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Synthesis of Cyclopropanes via Organoiron Methodology: Stereoselective Preparation of Bi(cyclopropyl)s.
Authors: Pandey Rajesh K. , Lindeman Sergey , Donaldson William A. 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Novel Polymer‐Supported Chiral Catalysts for the Asymmetric Addition of Diethylzinc to Aldehydes.
Authors: Wang Su‐Xi , Chen Fen‐Er 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
An Air‐Stable Chiral Hf‐Based Catalyst for Asymmetric Mannich‐Type Reactions.
Authors: Kobayashi Shu , Yazaki Ryo , Seki Kazutaka , Ueno Masaharu 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Pinacol Coupling of Aromatic Aldehydes and Ketones Mediated by TiCl4—Zn in Ethyl Acetate under Ultrasound.
Authors: Li Ji‐Tai , Sun Xue‐Li , Lin Zhi‐Ping , Chen Yan‐Xue , Li Tong‐Shuang 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Stereoselective Cross‐Coupling Reaction of 2,4‐Diaryl‐1,1‐diboryl‐1,3‐butadienes: Stereocontrolled Approach to 1,3,4,6‐Tetraarylated 1,3,5‐Hexatrienes.
Authors: Shimizu Masaki , Shimono Katsuhiro , Schelper Michael , Hiyama Tamejiro 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Synthesis of Bicyclo[4.1.0]heptenes via Palladium‐Catalyzed Intramolecular Coupling—Cyclization of 3‐(Cyclohexa‐2,4‐dienyl)pentane‐2,4‐dione with β‐Styryl Bromides.
Authors: Yeh Ming‐Chang P. , Tsao Wen‐Cheng , Wang Yen‐Jung , Pai Hui‐Fen 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Stereoselective Synthesis of 1,2,2‐Trisubstituted Indan Derivatives Using a Tandem SN2‐Michael Addition Sequence.
Authors: Gharpure Santosh J. , Reddy S. Raja Bhushan , Sanyal Udishnu 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
The Formation of Spiro‐β‐lactams and Amides from Reaction of Cyclic Ketenes with Imines.
Authors: Oh Sun Joo , Jung Ki‐Hoon , Moon Byung‐Hyun , Ahn Chuljin 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
A Study of the Claisen—Eschenmoser Reaction for Hydroxymethylbenzofurans and ‐indoles.
Authors: Mukhanova T. I. , Kukushkin S. Yu. , Ivanov P. Yu. , Alekseeva L. M. , Granik V. G. 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Synthesis of α,β‐Unsaturated γ‐Lactams via Asymmetric Iridium‐Catalyzed Allylic Substitution.
Authors: Spiess Stephanie , Berthold Carola , Weihofen Robert , Helmchen Guenter 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Copper‐Catalyzed Synthesis of 2,3‐Disubstituted Indoles.
Authors: Tanimori Shinji , Ura Haruna , Kirihata Mitsunori 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Stereoselective Synthesis of Isoxazolidines Through Pd‐Catalyzed Carboetherification of N‐Butenylhydroxylamines.
Authors: Hay Michael B. , Wolfe John P. 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Synthesis and Antibacterial Activity of Bis[2‐amino‐4‐phenyl‐5‐thiazolyl] Disulfides.
Authors: Siddiqui Hamid Latif , Zia‐Ur‐Rehman Muhammad , Ahmad Naveed , Weaver George William , Lucas Paul David 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Iodine‐Promoted Prins‐Cyclization of Ketones — A Facile Synthesis of Spirocyclic‐4‐iodotetrahydropyrans and 5,6‐Dihydro‐2H‐pyrans.
Authors: Yadav J. S. , Reddy B. V. Subba , Krishna V. Hari , Swamy T. , Kumar G. G. K. S. Narayana 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
An Efficient Synthesis of 2‐Aminobenzochromene Derivatives Catalyzed by Tetrabutylammoniumbromide (TBABr) under Microwave Irradiation in Aqueous Medium.
Authors: Paesha M. A. , Jayaeshankara V. P. 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Ring Expansion Induced by DAST: Synthesis of Substituted 3‐Fluoropiperidines from Prolinols and 3‐Fluoroazepanes from 2‐Hydroxymethylpiperidines.
Authors: Dechamps Ingrid , Gomez Pardo Domingo , Cossy Janine 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Improved Preparative Method for 1,2‐Diaryl‐3,4‐diphosphinidenecyclobutenes and Its Application to the Studies of 1,2‐Bis(arylthienyl)‐3,4‐diphosphinidenecyclobutenes.
Authors: Toyota Kozo , Horikawa Keiko , Jensen Rader S. , Omori Kouhei , Kawasaki Subaru , Ito Shigekazu , Yoshifuji Masaaki , Morita Noboru 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
A Novel Stereoselective Synthesis of 1,2‐trans‐Thioaldoses.
Authors: Xue Weihua , Cheng Xiaoyun , Fan Jian , Diao Huajia , Wang Chunming , Dong Lei , Luo Yi , Chen Jiangning , Zhang Junfeng 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Biosynthetic Capacities of Actinomycetes. Part 41. Abyssomicins G and H and Atrop‐Abyssomicin C from the Marine Verrucosispora Strain AB‐18‐032.
Authors: Keller Simone , Nicholson Graeme , Drahl Carmen , Sorensen Erik , Fiedler Hans‐Peter , Suessmuth Roderich D. 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Cell‐Adhesion Inhibitors Produced by a Sea Hare‐Derived Periconia sp. Part 3. Absolute Stereostructures of Peribysin J and Macrosphelide M.
Authors: Yamada Takeshi , Minoura Katsuhiko , Tanaka Reiko , Numata Atsushi 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Functionalization of Zeolitic Cavities: Grafting NH2 Groups in Framework T Sites of B‐SSZ‐13 — A Way to Obtain Basic Solids Catalysts?
Authors: Regli Laura , Bordiga Silvia , Busco Claudia , Prestipino Carmelo , Ugliengo Piero , Zecchina Adriano , Lamberti Carlo 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Magnetism in V‐/Mn‐Doped ZnO Layers Fabricated on Sapphire
Authors: Mofor A. C. , Reuss F. , El‐Shaer A. , Kling R. , Schlenker E. , Bakin A. , Ahlers H. , Siegner U. , Sievers S. , Albrecht M. , et al. et al. 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Palladium Catalyzed Arylation for the Synthesis of Polyarenes
Authors: Pascual Sergio , de Mendoza Paula , Echavarren Antonio M. 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Allenylzinc Reagents: New Trends and Synthetic Applications.
Authors: Botuha Candice , Chemla Fabrice , Ferreira Franck , Perez‐Luna Alejandro , Roy Brindaban 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
[NiFe] and [FeFe] Hydrogenases Studied by Advanced Magnetic Resonance Techniques
Authors: Lubitz Wolfgang , Reijerse Eduard , van Gastel Maurice 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Structure/Function Relationships of [NiFe]‐ and [FeFe]‐Hydrogenases
Authors: Fontecilla‐Camps Juan C. , Volbeda Anne , Cavazza Christine , Nicolet Yvain 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Sol—Gel with Phase Separation. Hierarchically Porous Materials Optimized for High‐Performance Liquid Chromatography Separations
Authors: Nakanishi Kazuki , Tanaka Nobuo 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Cell Motility on Micropatterned Treadmills and Tracks
Authors: Kandere‐Grzybowska Kristiana , Campbell Christopher J. , Mahmud Goher , Komarova Yulia , Soh Siowling , Grzybowski Bartosz A. 
Published: November 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Virtual Screening and Experimental Verification to Identify Potential Inhibitors of the ErmC Methyltransferase Responsible for Bacterial Resistance against Macrolide Antibiotics
Authors: Feder Marcin , Purta Elzbieta , Koscinski Lukasz , Čubrilo Sonja , Maravic Vlahovicek Gordana , Bujnicki Janusz M. 
Published: November 2007

AbstractMethyltransferases from the Erm family catalyze S‐adenosyl‐L‐methionine‐dependent modification of a specific adenine residue in bacterial 23S rRNA, thereby conferring resistance to clinically important macrolide, lincosamide, and streptogramin B antibiotics. Thus far, no inhibitors of these enzymes have been identified or designed that would effectively abolish the resistance in vivo. We used the crystal structure of ErmC′ methyltransferase as a target for structure‐based virtual screening of a database composed of 58 679 lead‐like compounds. Among 77 compounds selected for experimental validation (63 predicted to bind to the catalytic pocket and 14 compounds predicted to bind to the putative RNA binding site), we found several novel inhibitors that decrease the minimal inhibitory concentration of a macrolide antibiotic erythromycin toward an Escherichia coli strain that constitutively expresses ErmC′. Eight of them have IC50 values in the micromolar range. Analysis of docking models of the identified inhibitors suggests a novel strategy to develop potent and clinically useful inhibitors.
Dynamics of Electrons in Ammonia Cages: The Discovery System of Solvation
Authors: Lee I‐Ren , Lee Wonchul , Zewail Ahmed H. 
Published: November 2007

AbstractTwo centuries ago solvated electrons were discovered in liquid ammonia and a century later the concept of the solvent cage was introduced. Here, we report a real time study of the dynamics of size‐selected clusters, n=20 to 60, of electrons in ammonia, and, for comparison, that of electrons in water cages. Unlike the water case, the observed dynamics for ammonia indicates the formation, through a 100 fs temperature jump, of a solvent collective motion in a 500 fs relaxation process. The agreement of the experimental results—obtained for a well‐defined n, gated electron kinetic energy, and time delay—with molecular dynamics theory suggests the critical and different role of the kinetic energy and the librational motions involved in solvation.