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Unformatted text preview: free energy of reaction. (c) Compare your thermodynamic and structural results with experimental data, for example from the CRC handbook or another source. 2) Compute the hydrogen bond energy of the gas-phase water dimer (2H 2 O H 2 O-H 2 O) using a method and basis set of your choice. Document the approach that you took and report the energy. Student 1 RHF/3-21G* Student 2 MP2/3-21G Student 3 BLYP/3-21G* Student 4 BLYP/3-21G** Student 5 BLYP/3-21G+ Student 6 BLYP/3-21G++ Student 7 B3LYP/3-21G Student 8 BPW91/3-21G Student 9 SPL/3-21G Student 10 RHF/6-31G Student 11 MP2/6-31G Student 12 BLYP/6-31G Student 13 BLYP/D95 Student 14 BLYP/6-31G* Student 15 BLYP/6-31G** Student 16 B3LYP/6-31G Student 17 BPW91/6-31G Student 18 SPL/6-31G Student 19 BLYP/6-31G+ Student 20 BLYP/6-31G++ Student 21 BLYP/6-31G*+ Student 22 BLYP/6-31G**++ Student 23 MP2/3-21G+ (Image by MIT OCW.)...
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