DFT electronic structure calculations, spectroscopic studies, and normal coordinate analysis of 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate
2-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate (25N2LCPA) is prescribed for treatment of diseases caused by Giardia-intestinalis and Cryptosporidium like diarrhea, chronic hepatitis B, rotavirus disease, and immune-compromised patients, including those with AIDS or HIV infection. The equilibr...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Muthu, S. [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2015transfer abstract |
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| Schlagwörter: |
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| Umfang: |
10 |
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| Übergeordnetes Werk: |
Enthalten in: Developing an audio analyzer for instantaneous stroke position identification on table tennis racket to assist technical training - An, Chen-Chi ELSEVIER, 2017, Amsterdam [u.a.] |
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| Übergeordnetes Werk: |
volume:138 ; year:2015 ; day:5 ; month:03 ; pages:743-752 ; extent:10 |
| Links: |
|---|
| DOI / URN: |
10.1016/j.saa.2014.11.035 |
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ELV012746592 |
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10.1016/j.saa.2014.11.035 doi GBVA2015003000002.pica (DE-627)ELV012746592 (ELSEVIER)S1386-1425(14)01694-1 DE-627 ger DE-627 rakwb eng 540 530 540 DE-600 530 DE-600 660 VZ 50.21 bkl Muthu, S. verfasserin aut DFT electronic structure calculations, spectroscopic studies, and normal coordinate analysis of 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate 2015transfer abstract 10 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier 2-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate (25N2LCPA) is prescribed for treatment of diseases caused by Giardia-intestinalis and Cryptosporidium like diarrhea, chronic hepatitis B, rotavirus disease, and immune-compromised patients, including those with AIDS or HIV infection. The equilibrium geometry harmonic vibrational frequencies, infrared intensities and Raman scattering activities were calculated by with the help DFT method with 6-31+G(d,p) basis set using Gaussian 03W program. Based on Pulay’s recommendations a complete set of internal coordinates has been defined to calculate potential energy distribution (PED) for each normal mode with aid of NCA. 2-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate (25N2LCPA) is prescribed for treatment of diseases caused by Giardia-intestinalis and Cryptosporidium like diarrhea, chronic hepatitis B, rotavirus disease, and immune-compromised patients, including those with AIDS or HIV infection. The equilibrium geometry harmonic vibrational frequencies, infrared intensities and Raman scattering activities were calculated by with the help DFT method with 6-31+G(d,p) basis set using Gaussian 03W program. Based on Pulay’s recommendations a complete set of internal coordinates has been defined to calculate potential energy distribution (PED) for each normal mode with aid of NCA. DFT Elsevier FTIR and FT-Raman spectra Elsevier NBO Elsevier NCA Elsevier HOMO–LUMO Elsevier Elamuruguporchelvi, E. oth Varghese, Anitha oth Enthalten in Elsevier Science An, Chen-Chi ELSEVIER Developing an audio analyzer for instantaneous stroke position identification on table tennis racket to assist technical training 2017 Amsterdam [u.a.] (DE-627)ELV000384860 volume:138 year:2015 day:5 month:03 pages:743-752 extent:10 https://doi.org/10.1016/j.saa.2014.11.035 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA 50.21 Messtechnik VZ AR 138 2015 5 0305 743-752 10 045F 540 |
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10.1016/j.saa.2014.11.035 doi GBVA2015003000002.pica (DE-627)ELV012746592 (ELSEVIER)S1386-1425(14)01694-1 DE-627 ger DE-627 rakwb eng 540 530 540 DE-600 530 DE-600 660 VZ 50.21 bkl Muthu, S. verfasserin aut DFT electronic structure calculations, spectroscopic studies, and normal coordinate analysis of 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate 2015transfer abstract 10 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier 2-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate (25N2LCPA) is prescribed for treatment of diseases caused by Giardia-intestinalis and Cryptosporidium like diarrhea, chronic hepatitis B, rotavirus disease, and immune-compromised patients, including those with AIDS or HIV infection. The equilibrium geometry harmonic vibrational frequencies, infrared intensities and Raman scattering activities were calculated by with the help DFT method with 6-31+G(d,p) basis set using Gaussian 03W program. Based on Pulay’s recommendations a complete set of internal coordinates has been defined to calculate potential energy distribution (PED) for each normal mode with aid of NCA. 2-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate (25N2LCPA) is prescribed for treatment of diseases caused by Giardia-intestinalis and Cryptosporidium like diarrhea, chronic hepatitis B, rotavirus disease, and immune-compromised patients, including those with AIDS or HIV infection. The equilibrium geometry harmonic vibrational frequencies, infrared intensities and Raman scattering activities were calculated by with the help DFT method with 6-31+G(d,p) basis set using Gaussian 03W program. Based on Pulay’s recommendations a complete set of internal coordinates has been defined to calculate potential energy distribution (PED) for each normal mode with aid of NCA. DFT Elsevier FTIR and FT-Raman spectra Elsevier NBO Elsevier NCA Elsevier HOMO–LUMO Elsevier Elamuruguporchelvi, E. oth Varghese, Anitha oth Enthalten in Elsevier Science An, Chen-Chi ELSEVIER Developing an audio analyzer for instantaneous stroke position identification on table tennis racket to assist technical training 2017 Amsterdam [u.a.] (DE-627)ELV000384860 volume:138 year:2015 day:5 month:03 pages:743-752 extent:10 https://doi.org/10.1016/j.saa.2014.11.035 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA 50.21 Messtechnik VZ AR 138 2015 5 0305 743-752 10 045F 540 |
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10.1016/j.saa.2014.11.035 doi GBVA2015003000002.pica (DE-627)ELV012746592 (ELSEVIER)S1386-1425(14)01694-1 DE-627 ger DE-627 rakwb eng 540 530 540 DE-600 530 DE-600 660 VZ 50.21 bkl Muthu, S. verfasserin aut DFT electronic structure calculations, spectroscopic studies, and normal coordinate analysis of 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate 2015transfer abstract 10 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier 2-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate (25N2LCPA) is prescribed for treatment of diseases caused by Giardia-intestinalis and Cryptosporidium like diarrhea, chronic hepatitis B, rotavirus disease, and immune-compromised patients, including those with AIDS or HIV infection. The equilibrium geometry harmonic vibrational frequencies, infrared intensities and Raman scattering activities were calculated by with the help DFT method with 6-31+G(d,p) basis set using Gaussian 03W program. Based on Pulay’s recommendations a complete set of internal coordinates has been defined to calculate potential energy distribution (PED) for each normal mode with aid of NCA. 2-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate (25N2LCPA) is prescribed for treatment of diseases caused by Giardia-intestinalis and Cryptosporidium like diarrhea, chronic hepatitis B, rotavirus disease, and immune-compromised patients, including those with AIDS or HIV infection. The equilibrium geometry harmonic vibrational frequencies, infrared intensities and Raman scattering activities were calculated by with the help DFT method with 6-31+G(d,p) basis set using Gaussian 03W program. Based on Pulay’s recommendations a complete set of internal coordinates has been defined to calculate potential energy distribution (PED) for each normal mode with aid of NCA. DFT Elsevier FTIR and FT-Raman spectra Elsevier NBO Elsevier NCA Elsevier HOMO–LUMO Elsevier Elamuruguporchelvi, E. oth Varghese, Anitha oth Enthalten in Elsevier Science An, Chen-Chi ELSEVIER Developing an audio analyzer for instantaneous stroke position identification on table tennis racket to assist technical training 2017 Amsterdam [u.a.] (DE-627)ELV000384860 volume:138 year:2015 day:5 month:03 pages:743-752 extent:10 https://doi.org/10.1016/j.saa.2014.11.035 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA 50.21 Messtechnik VZ AR 138 2015 5 0305 743-752 10 045F 540 |
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10.1016/j.saa.2014.11.035 doi GBVA2015003000002.pica (DE-627)ELV012746592 (ELSEVIER)S1386-1425(14)01694-1 DE-627 ger DE-627 rakwb eng 540 530 540 DE-600 530 DE-600 660 VZ 50.21 bkl Muthu, S. verfasserin aut DFT electronic structure calculations, spectroscopic studies, and normal coordinate analysis of 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate 2015transfer abstract 10 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier 2-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate (25N2LCPA) is prescribed for treatment of diseases caused by Giardia-intestinalis and Cryptosporidium like diarrhea, chronic hepatitis B, rotavirus disease, and immune-compromised patients, including those with AIDS or HIV infection. The equilibrium geometry harmonic vibrational frequencies, infrared intensities and Raman scattering activities were calculated by with the help DFT method with 6-31+G(d,p) basis set using Gaussian 03W program. Based on Pulay’s recommendations a complete set of internal coordinates has been defined to calculate potential energy distribution (PED) for each normal mode with aid of NCA. 2-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate (25N2LCPA) is prescribed for treatment of diseases caused by Giardia-intestinalis and Cryptosporidium like diarrhea, chronic hepatitis B, rotavirus disease, and immune-compromised patients, including those with AIDS or HIV infection. The equilibrium geometry harmonic vibrational frequencies, infrared intensities and Raman scattering activities were calculated by with the help DFT method with 6-31+G(d,p) basis set using Gaussian 03W program. Based on Pulay’s recommendations a complete set of internal coordinates has been defined to calculate potential energy distribution (PED) for each normal mode with aid of NCA. DFT Elsevier FTIR and FT-Raman spectra Elsevier NBO Elsevier NCA Elsevier HOMO–LUMO Elsevier Elamuruguporchelvi, E. oth Varghese, Anitha oth Enthalten in Elsevier Science An, Chen-Chi ELSEVIER Developing an audio analyzer for instantaneous stroke position identification on table tennis racket to assist technical training 2017 Amsterdam [u.a.] (DE-627)ELV000384860 volume:138 year:2015 day:5 month:03 pages:743-752 extent:10 https://doi.org/10.1016/j.saa.2014.11.035 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA 50.21 Messtechnik VZ AR 138 2015 5 0305 743-752 10 045F 540 |
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10.1016/j.saa.2014.11.035 doi GBVA2015003000002.pica (DE-627)ELV012746592 (ELSEVIER)S1386-1425(14)01694-1 DE-627 ger DE-627 rakwb eng 540 530 540 DE-600 530 DE-600 660 VZ 50.21 bkl Muthu, S. verfasserin aut DFT electronic structure calculations, spectroscopic studies, and normal coordinate analysis of 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate 2015transfer abstract 10 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier 2-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate (25N2LCPA) is prescribed for treatment of diseases caused by Giardia-intestinalis and Cryptosporidium like diarrhea, chronic hepatitis B, rotavirus disease, and immune-compromised patients, including those with AIDS or HIV infection. The equilibrium geometry harmonic vibrational frequencies, infrared intensities and Raman scattering activities were calculated by with the help DFT method with 6-31+G(d,p) basis set using Gaussian 03W program. Based on Pulay’s recommendations a complete set of internal coordinates has been defined to calculate potential energy distribution (PED) for each normal mode with aid of NCA. 2-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate (25N2LCPA) is prescribed for treatment of diseases caused by Giardia-intestinalis and Cryptosporidium like diarrhea, chronic hepatitis B, rotavirus disease, and immune-compromised patients, including those with AIDS or HIV infection. The equilibrium geometry harmonic vibrational frequencies, infrared intensities and Raman scattering activities were calculated by with the help DFT method with 6-31+G(d,p) basis set using Gaussian 03W program. Based on Pulay’s recommendations a complete set of internal coordinates has been defined to calculate potential energy distribution (PED) for each normal mode with aid of NCA. DFT Elsevier FTIR and FT-Raman spectra Elsevier NBO Elsevier NCA Elsevier HOMO–LUMO Elsevier Elamuruguporchelvi, E. oth Varghese, Anitha oth Enthalten in Elsevier Science An, Chen-Chi ELSEVIER Developing an audio analyzer for instantaneous stroke position identification on table tennis racket to assist technical training 2017 Amsterdam [u.a.] (DE-627)ELV000384860 volume:138 year:2015 day:5 month:03 pages:743-752 extent:10 https://doi.org/10.1016/j.saa.2014.11.035 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA 50.21 Messtechnik VZ AR 138 2015 5 0305 743-752 10 045F 540 |
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DFT electronic structure calculations, spectroscopic studies, and normal coordinate analysis of 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate |
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DFT electronic structure calculations, spectroscopic studies, and normal coordinate analysis of 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate |
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dft electronic structure calculations, spectroscopic studies, and normal coordinate analysis of 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate |
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DFT electronic structure calculations, spectroscopic studies, and normal coordinate analysis of 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate |
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2-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate (25N2LCPA) is prescribed for treatment of diseases caused by Giardia-intestinalis and Cryptosporidium like diarrhea, chronic hepatitis B, rotavirus disease, and immune-compromised patients, including those with AIDS or HIV infection. The equilibrium geometry harmonic vibrational frequencies, infrared intensities and Raman scattering activities were calculated by with the help DFT method with 6-31+G(d,p) basis set using Gaussian 03W program. Based on Pulay’s recommendations a complete set of internal coordinates has been defined to calculate potential energy distribution (PED) for each normal mode with aid of NCA. |
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2-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate (25N2LCPA) is prescribed for treatment of diseases caused by Giardia-intestinalis and Cryptosporidium like diarrhea, chronic hepatitis B, rotavirus disease, and immune-compromised patients, including those with AIDS or HIV infection. The equilibrium geometry harmonic vibrational frequencies, infrared intensities and Raman scattering activities were calculated by with the help DFT method with 6-31+G(d,p) basis set using Gaussian 03W program. Based on Pulay’s recommendations a complete set of internal coordinates has been defined to calculate potential energy distribution (PED) for each normal mode with aid of NCA. |
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2-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate (25N2LCPA) is prescribed for treatment of diseases caused by Giardia-intestinalis and Cryptosporidium like diarrhea, chronic hepatitis B, rotavirus disease, and immune-compromised patients, including those with AIDS or HIV infection. The equilibrium geometry harmonic vibrational frequencies, infrared intensities and Raman scattering activities were calculated by with the help DFT method with 6-31+G(d,p) basis set using Gaussian 03W program. Based on Pulay’s recommendations a complete set of internal coordinates has been defined to calculate potential energy distribution (PED) for each normal mode with aid of NCA. |
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