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QM/MM methods for simulation of condensed phase processes

COMBINED QM/MM METHODS FOR THE SIMULATION OF CONDENSED PHASE PROCESSES USING AN APPROXIMATE DFT APPROACH... [Pg.381]


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Condensation methods

Condensation process

Condensed phase processes

Condensed phases

Method phase

Method process

Phase condensation

Phase processes

Phase simulation

Process simulators methods

Processed method

Processing methods

QM simulation

Simulation methods

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