Advances in Molecular Spectroscopy in Condensed Phase and Quantum Chemistry
نویسندگان
چکیده
منابع مشابه
Femtosecond quantum control of molecular dynamics in the condensed phase.
We review the progress in controlling quantum dynamical processes in the condensed phase with femtosecond laser pulses. Due to its high particle density the condensed phase has both high relevance and appeal for chemical synthesis. Thus, in recent years different methods have been developed to manipulate the dynamics of condensed-phase systems by changing one or multiple laser pulse parameters....
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Advances in computational power have greatly facilitated the successful implementation of large-scale computer simulations of biological assemblies and complex condensed phases. Researchers have developed numerous simulation techniques, but many of these share, at their core, the so-called molecular dynamics (MD) paradigm to simulate such systems. (See the “Molecular Dynamics in a Nutshell” sid...
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Molecular simulations are powerful tools for providing atomic-level details into complex chemical and physical processes that occur in the condensed phase. For strongly interacting systems where quantum many-body effects are known to play an important role, density-functional methods are often used to provide the model with the potential energy used to drive dynamics. These methods, however, su...
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Various linear and nonlinear vibrational and electronic spectroscopy experiments in liquids are usually analyzed within the second-cumulant approximation, and therefore the fundamental quantity of interest is the equilibrium time-correlation function of the fluctuating transition frequency. In the usual approach the "bath" variables responsible for the fluctuating frequency are treated classica...
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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...
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ژورنال
عنوان ژورنال: Molecular Science
سال: 2020
ISSN: 1881-8404
DOI: 10.3175/molsci.14.a0114