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JCC
1998

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Electrostatic model for infrared intensities in a spectroscopically determined molecular mechanics force field

13 years 4 months ago

Electrostatic model for infrared intensities in a spectroscopically determined molecular mechanics force field

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Kim Palmö, Samuel Krimm

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10

JCC
1998

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Performance of parallel TURBOMOLE for density functional calculations

13 years 4 months ago

Performance of parallel TURBOMOLE for density functional calculations

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Malte Von Arnim, Reinhart Ahlrichs

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7

JCC
1998

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

13 years 4 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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12

JCC
1998

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Optimizing efficiency of perturbative Monte Carlo method

13 years 4 months ago

Optimizing efficiency of perturbative Monte Carlo method

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Tom J. Evans, Thanh N. Truong

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10

JCC
1998

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

13 years 4 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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