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Hi dear friends How can I obtain Projected density of states using Gaussian program? What does input file for calculation of Projected density of states? Thanks
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Hi I am using TD-DFT calculation for investigation of optical properties. How can I characterized the absorption transitions in calculated UV-vis spectrum? for example: absorption transitions were...
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Hi I work with VEDA program I am doing the all steps of this program but vdf file can not be created, why? Why do these terms are zero? diagonality factor = 0.00 , = 0.00 How can I...
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Hi I work with NBO program and I have the results of this program. NBO result have different sections, What is the meaning and application of each section? Thanks
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