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60

JCC
1998

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Performance of parallel TURBOMOLE for density functional calculations

14 years 12 months ago

Performance of parallel TURBOMOLE for density functional calculations

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Malte Von Arnim, Reinhart Ahlrichs

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54

JCC
1998

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

14 years 12 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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78

JCC
1998

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Optimizing efficiency of perturbative Monte Carlo method

14 years 12 months ago

Optimizing efficiency of perturbative Monte Carlo method

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Tom J. Evans, Thanh N. Truong

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61

JCC
1998

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

14 years 12 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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59

JCC
1998

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Free energy calculations in globular proteins: Methods to reduce errors

14 years 12 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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