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Gaussian inc 03 program system
03 Program System, supplied by Gaussian inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/gaussian+program/03+program+package/pmc02761195-75-7-12
Average 90 stars, based on 1 article reviews
03 program system - by Bioz Stars, 2026-09
90/100 stars

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Related Articles

other:

Article Title: Characterization of pyrolytic lignin and insight into its formation mechanisms using novel techniques and DFT method
Article Snippet: A R T I C L E I N F O

Article Title: Raman Line Imaging of Poly(ε-caprolactone)/Carbon Dioxide Solutions at High Pressures: A Combined Experimental and Computational Study for Interpreting Intermolecular Interactions and Free-Volume Effects.
Article Snippet: In the present study a Raman line-imaging setup was employed to monitor in-situ the CO2 sorption at elevated pressures (from 0.62 to 7.10 MPa) in molten PCL.. The method allowed the quantitative measurement of gas concentration in both the time-resolved and the space-resolved modes.. The combined experimental and theoretical approach allowed a molecular level characterization of the system.

Article Title: Morphology, molecular interactions and H 2 O diffusion in a poly(lactic-acid)/graphene composite: A vibrational spectroscopy study.
Article Snippet: Accepted Manuscript Morphology, molecular interactions and H2O diffusion in a poly(lactic-acid)/graphene composite: A vibrational spectroscopy study Pellegrino Musto, Pietro La Manna, Francesca Cimino, Giuseppe Mensitieri, Pietro Russo PII: S1386-1425(18)30790-X DOI: doi:10.1016/j.saa.2018.08.019 Reference: SAA 16394 To appear in: Spectrochimica Acta Part A: Molecular and BiomolecularSpectroscopy Received date: 20 March 2018 Revised date: 3 August 2018 Accepted date: 11 August 2018 Please cite this article as: Pellegrino Musto, Pietro La Manna, Francesca Cimino, Giuseppe Mensitieri, Pietro Russo , Morphology, molecular interactions and H2O diffusion in a poly(lactic-acid)/graphene composite: A vibrational spectroscopy study.. Saa (2018), doi:10.1016/j.saa.2018.08.019 This is a PDF file of an unedited manuscript that has been accepted for publication.. As a service to our customers we are providing this early version of the manuscript.

Article Title: Infrared Spectroscopy of Polybenzimidazole in the Dry and Hydrate Forms: A Combined Experimental and Computational Study
Article Snippet: DFT and NCA calculations were performed by the Gaussian 03 program package (Gaussian Inc., Pittsburgh, PA), and the results were visualized with the associated GaussView graphic interface.

Article Title: The microwave spectrum of the difluorocyanomethyl radical, ĊF2CN
Article Snippet: Dr. J. Montgomery, Jr. and Dr. M. Frisch from Gaussian Inc. helped us set up the internal version of the Gaussian 03 program package.


Functional Assay:

Article Title: Theoretical Calculation and Experimental Verification Demonstrated the Impossibility of Finding Haptens Identifying Triphenylmethane Dyes and Their Leuco Metabolites Simultaneously
Article Snippet: .. AM1 calculation was performed with MOE and all the ab initio and density functional calculations (B3LYP) were performed with the Gaussian 03 program suite (Revision B.2, Gaussian Inc., Pittsburgh, PA, USA) [27]. .. Milliken population analysis was performed to calculate the partial charge of the atoms.

Article Title: Theoretical Calculation and Experimental Verification Demonstrated the Impossibility of Finding Haptens Identifying Triphenylmethane Dyes and Their Leuco Metabolites Simultaneously
Article Snippet: .. AM1 calculation was performed with MOE and all the ab initio and density functional calculations (B3LYP) were performed with the Gaussian 03 program suite (Revision B.2, Gaussian Inc., Pittsburgh, PA, USA) [ ]. .. Milliken population analysis was performed to calculate the partial charge of the atoms.



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