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Practical Aspects of Computational Chemistry I
Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends gathers the advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title itself reflects the celebration of the twentieth anniversary of the “Conference on Current Trends in Computational Chemistry (CCTCC)” to which all authors have participated and contributed to its success. This volume poses (and answers) important questions of interest to the computational chemistry community and beyond. What is the historical background of the “Structural Chemistry”? Is there any way to avoid the problem of intruder s...
Basic, Intermediate and Advanced Grammar and Composition In English-Esperanto
it is an easy tool that teaches the rules of sentences, noun, verbs, question mark, adjectives, and adverbs; prepositions, propositions, and pronoun pronouncements; punctuation; possessives; and proofreading skills for all communication. ĝi estas facila ilo, kiu instruas la regulojn de frazoj, substantivo, verboj, demando, adjektivoj kaj adverboj; prepozicioj, proponoj kaj pronontaj prononcoj; interpunkcio; posedantoj; kaj pruvi kapablojn por ĉiuj komunikado
Chemical Synergies
This book gives an overview of recent integrated and inter-disciplinary approaches between chemical experiment and theory in a variety of fields, from polymer science to materials chemistry and ranging from the design of tailored properties to catalysis and reactivity, building on the well-established success of Density Functional Theory as the foremost quantum chemical method to provide qualitative and quantitative interpretation of results from the chemical laboratory. The combination of several characterization techniques with an understanding at the molecular level of chemical and physical phenomena are the main focal point of the subject matter.
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Halogen Bonding I
The nature and directionality of halogen bonding; the sigma hole, by Timothy Clark, Peter Politzer, Jane S. Murray Solid-state NMR study of halogen-bonded adducts, by David Bryce Infrared and Raman measurements of halogen bonding in cryogenic solutions, by Wouter Herrebout Halogen bonding in the gas phase, by Anthony C. Legon Halogen bonding in solution, Mate Erdelyi Unconventional motifs for halogen bonding, by Kari Rissanen Halogen bonding in supramolecular synthesis, Christer Aakeröy Halogen bond in synthetic organic chemistry, Stefan M. Huber Anion recognition in solution via halogen bonding, Mark S. Taylor Anion transport with halogen bonds, by Stefan Matile Halogen bonding in silico drug design, by Pavel Hobza, Kevin Riley Biological halogen bonds: An old dog with new tricks, by P. Shing Ho Principles and applications of halogen bonding in medicinal chemistry, by Frank M. Boeckler Halogen bond in molecular conductors and magnets, by Marc Foumigué Halogen bonding towards design of organic phosphors, by Wei Jun Jin Halogen bond in photoresponsive materials, by Pierangelo Metrangolo, Giuseppe Resnati, Arri Priimagi
