Studies in molecular structure, symmetry and conformation
نویسندگان
چکیده
منابع مشابه
Molecular Eigensolution Symmetry Analysis and Fine Structure
Spectra of high-symmetry molecules contain fine and superfine level cluster structure related to J-tunneling between hills and valleys on rovibronic energy surfaces (RES). Such graphic visualizations help disentangle multi-level dynamics, selection rules, and state mixing effects including widespread violation of nuclear spin symmetry species. A review of RES analysis compares it to that of pot...
متن کاملmolecular and physiological characterizations of floral scent production in rosa damascena mill.
گل محمدی (r. damascena mill.)مهمترین گونه ای است که در تولید گلاب، عطر و اسانس، در صنعت عطرسازی و دارویی کاربرد دارد. با وجود اهمیت عطر گل محمدی، پژوهش های مولکولی و بیوشیمیایی عطر گل این گونه هنوز در مراحل ابتدایی است. در این پژوهش، ویژگی های مولکولی و فیزیولوژیکی تولید عطر در گل محمدی در آزمایش های مختلف مورد بررسی قرار گرفتند. در آزمایش اول، پژوهشی به منظور بررسی تنوع شیمیایی اسانس میان 44 ت...
simulation and experimental studies for prediction mineral scale formation in oil field during mixing of injection and formation water
abstract: mineral scaling in oil and gas production equipment is one of the most important problem that occurs while water injection and it has been recognized to be a major operational problem. the incompatibility between injected and formation waters may result in inorganic scale precipitation in the equipment and reservoir and then reduction of oil production rate and water injection rate. ...
Nuclear Structure Studies in Fermionic Molecular Dynamics
In the Fermionic Molecular Dynamics (FMD) approach many-body wave functions are described by Slater determinants of Gaussian wave-packets localized in phase space. The symmetries of the Hamiltonian are restored by projection on parity, angular and linear momentum. An effective interaction derived from the realistic Argonne V18 interaction by explicit introduction of short-range central and tens...
متن کاملMOLECULAR STRUCTURE Conformation of hexadecylphosphocholine, an anticancer drug, by molecular dynamics and NMR methods
The conformation of hexadecylphosphocholine (HPC) and its interaction with model membranes prepared from dipalmitoylphosphatidylcholine (DPPC) have been investigated by molecular dynamics (MD) and NMR methods. The results of MD studies indicate that in the global minimum energy structure, the phosphocholine head group of the drug is bent at rib and TI9, while the hexadecyl chain is nearly exten...
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ژورنال
عنوان ژورنال: Journal of Crystal and Molecular Structure
سال: 1971
ISSN: 0308-4086,1572-8854
DOI: 10.1007/bf01200419