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50

JCC
1998

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Performance of parallel TURBOMOLE for density functional calculations

14 years 9 months ago

Performance of parallel TURBOMOLE for density functional calculations

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Malte Von Arnim, Reinhart Ahlrichs

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43

JCC
1998

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Approach to regiochemistry using local softness in 1, 3-dipolar cycloadditions

14 years 9 months ago

Approach to regiochemistry using local softness in 1, 3-dipolar cycloadditions

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Asit K. Chandra, Minh Tho Nguyen

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69

JCC
1998

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Optimizing efficiency of perturbative Monte Carlo method

14 years 9 months ago

Optimizing efficiency of perturbative Monte Carlo method

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Tom J. Evans, Thanh N. Truong

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53

JCC
1998

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Calculation of solvation free energy using RISM theory for peptide in salt solution

14 years 9 months ago

Calculation of solvation free energy using RISM theory for peptide in salt solution

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Masahiro Kinoshita, Yuko Okamoto, Fumio Hirata

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46

JCC
1998

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Free energy calculations in globular proteins: Methods to reduce errors

14 years 9 months ago

Free energy calculations in globular proteins: Methods to reduce errors

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Alfredo Di Nola, Axel T. Brünger

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