Titlebook: Quantum Modeling of Complex Molecular Systems; Jean-Louis Rivail,Manuel Ruiz-Lopez,Xavier Assfeld Book 2015 Springer International Publish

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書目名稱Quantum Modeling of Complex Molecular Systems影響因子(影響力)




書目名稱Quantum Modeling of Complex Molecular Systems影響因子(影響力)學(xué)科排名




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書目名稱Quantum Modeling of Complex Molecular Systems網(wǎng)絡(luò)公開度學(xué)科排名




書目名稱Quantum Modeling of Complex Molecular Systems被引頻次




書目名稱Quantum Modeling of Complex Molecular Systems被引頻次學(xué)科排名




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書目名稱Quantum Modeling of Complex Molecular Systems讀者反饋




書目名稱Quantum Modeling of Complex Molecular Systems讀者反饋學(xué)科排名

污穢

QM/MM Approaches for the Modeling of Photoinduced Processes in Biological Systems,ates involved in the processes. Specific problems related to the modeling of stationary properties and correlations, as well as reactive events will be analyzed and the computational tools developed so far within the QM/MM framework to solve them will be described.

女上癮

Book 2015as interphase?and biomacromolecular systems..Quantum modeling of complex molecular systems is a useful resource for graduate students and fledgling researchers and is also an excellent companion for research professionals engaged in computational chemistry, material science, nanotechnology, physics, drug design, and molecular biochemistry..

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pericardium

Recent Progress in Adaptive-Partitioning QM/MM Methods for Born-Oppenheimer Molecular Dynamics,partitioning (AP) schemes. Initially developed for the studies of solvated ions and molecules, AP methods have been extended to model large molecules, such as biopolymers, to monitor the exchange of solvent molecules between a protein active site and the bulk solvent, and to describe proton hopping in water via the Grotthuss mechanism.

acolyte

violate

NAVEN

我不死扛

Exploring Chemical Reactivity in Enzyme Catalyzed Processes Using QM/MM Methods: An Application to of Transition State Theory provided that the adequate simulations are carried out. Protein dynamics, quantum tunnelling effects and conformational diversity are essential ingredients to explain the complex behaviour of these amazing molecular machineries.

耐寒