UB Paderborn / Katalog / Suche / in CDI

Facile synthesis of multifunctional silver nanoparticles using mangrove plant Excoecaria agallocha L. for its antibacterial, antioxidant and cytotoxic effects

Journal of parasitic diseases, 2017-03, Vol.41 (1), p.180-187

2017

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Vibrational spectroscopic investigations of 4,4-dimethyl-2-oxazoline: A density functional theory approach

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-02, Vol.136, p.1530-1542

2015

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A study of the molecular, vibrational, electronic and quantum chemical investigation of 2-methyl-1-vinylimidazole

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-02, Vol.136, p.1569-1581

2015

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Spectroscopic investigations, quantum chemical calculations, HOMO–LUMO and NBO/NLMO analysis of 4-pyridinecarbohydrazide

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2013-11, Vol.115, p.815-822

2013

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Ab initio, density functional computations, FT-IR, FT-Raman and molecular geometry of 4-morpholine carbonitrile

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2013-01, Vol.101, p.148-155

2013

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Spectroscopic (FTIR, FT-Raman, 13C and 1H NMR) investigation, molecular electrostatic potential, polarizability and first-order hyperpolarizability, FMO and NBO analysis of 1-methyl-2-imidazolethiol

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-01, Vol.118, p.999-1011

2014

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FT-IR, FT-Raman, ab initio and DFT studies, HOMO–LUMO and NBO analysis of 3-amino-5-mercapto-1,2,4-triazole

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2012-02, Vol.86, p.242-251

2012

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Molecular and vibrational structure of 2-mercapto pyrimidine and 2,4-diamino-6-hydroxy-5-nitroso pyrimidine: FT-IR, FT-Raman and quantum chemical calculations

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2006-02, Vol.63 (2), p.454-463

2006

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Production of nanodrug for Bacillus cereus isolated from HIV positive patient using Mallotus philippensis

Journal of radiation research and applied sciences, 2016-04, Vol.9 (2), p.164-169

2016

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Density functional theory study on characterization of 3-chloro-1,2-benzisothiazole

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2012-06, Vol.91, p.248-255

2012

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Experimental and theoretical spectroscopic studies, HOMO–LUMO, NBO and NLMO analysis of 3,5-dibromo-2,6-dimethoxy pyridine

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2012-11, Vol.97, p.215-222

2012

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Conformational stability, vibrational spectra, HOMO–LUMO and NBO analysis of 1,3,4-thiadiazolidine-2,5-dithione with experimental (FT-IR and FT-Raman) techniques and scaled quantum mechanical calculations

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2013-09, Vol.113, p.171-181

2013

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Vibrational spectra, monomer, dimer, NBO, HOMO, LUMO and NMR analyses of trans-4-hydroxy-l-proline

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-07, Vol.128, p.54-68

2014

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Density functional theory study of vibrational spectra, and assignment of fundamental vibrational modes of succinimide and N-bromosuccinimide

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2005-12, Vol.62 (4), p.931-939

2005

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Deposition and characterization of Cu2ZnSnS4 thin films for photovoltaic applications

Journal of materials science. Materials in electronics, 2016-12, Vol.27 (12), p.13229-13234

2016

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Quantum chemical computations, vibrational spectroscopic studies, NLO and NBO/NLMO analysis of o-chlorobenzohydrazide

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-08, Vol.129, p.14-21

2014

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Quantum chemical calculations, vibrational studies, HOMO–LUMO and NBO/NLMO analysis of 2-bromo-5-nitrothiazole

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2013-03, Vol.104, p.394-402

2013

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FT Raman and FT–IR spectral studies of 3-mercapto-1,2,4-triazole

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2004-02, Vol.60 (3), p.709-714

2004

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Density functional theory calculations and vibrational spectra of 3,5-dibromopyridine and 3,5-dichloro-2,4,6-trifluoropyridine

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2005, Vol.61 (1), p.253-260

2005

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FTIR, FT-Raman, scaled quantum chemical studies of the structure and vibrational spectra of 1,5-dinitronaphthalene

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2009-06, Vol.72 (5), p.941-946

2009

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Analysis of vibrational spectra of 4-amino-2,6-dichloropyridine and 2-chloro-3,5-dinitropyridine based on density functional theory calculations

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2006-09, Vol.65 (1), p.147-154

2006

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Vibrational analysis of 1,4-diaminoanthraquinone and 1,5-dichloroanthraquinone. A joint FTIR, FT-Raman and scaled quantum mechanical study

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2005-06, Vol.61 (8), p.1799

2005

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Vibrational spectral analysis of 1-methoxynaphthalene

Indian journal of pure & applied physics, 2010-04, Vol.48 (4), p.245-250

2010

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Scaled quantum chemical studies of the structure and vibrational spectra of 2,4-diaminoquinazoline and 4-amino-2-methylquinoline

Chemical physics, 2005-06, Vol.312 (1-3), p.227-240

2005

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Deposition and characterization of Cu^sub 2^ZnSnS^sub 4^ thin films for photovoltaic applications

Journal of materials science. Materials in electronics, 2016-12, Vol.27 (12), p.13229

2016

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Facile synthesis of multifunctional silver nanoparticles using mangrove plant Excoecaria agallocha L. for its antibacterial, antioxidant and cytotoxic effects

Vibrational spectroscopic investigations of 4,4-dimethyl-2-oxazoline: A density functional theory approach

A study of the molecular, vibrational, electronic and quantum chemical investigation of 2-methyl-1-vinylimidazole

Spectroscopic investigations, quantum chemical calculations, HOMO–LUMO and NBO/NLMO analysis of 4-pyridinecarbohydrazide

Ab initio, density functional computations, FT-IR, FT-Raman and molecular geometry of 4-morpholine carbonitrile

Spectroscopic (FTIR, FT-Raman, 13C and 1H NMR) investigation, molecular electrostatic potential, polarizability and first-order hyperpolarizability, FMO and NBO analysis of 1-methyl-2-imidazolethiol

FT-IR, FT-Raman, ab initio and DFT studies, HOMO–LUMO and NBO analysis of 3-amino-5-mercapto-1,2,4-triazole

Molecular and vibrational structure of 2-mercapto pyrimidine and 2,4-diamino-6-hydroxy-5-nitroso pyrimidine: FT-IR, FT-Raman and quantum chemical calculations

Production of nanodrug for Bacillus cereus isolated from HIV positive patient using Mallotus philippensis

Density functional theory study on characterization of 3-chloro-1,2-benzisothiazole

Experimental and theoretical spectroscopic studies, HOMO–LUMO, NBO and NLMO analysis of 3,5-dibromo-2,6-dimethoxy pyridine

Conformational stability, vibrational spectra, HOMO–LUMO and NBO analysis of 1,3,4-thiadiazolidine-2,5-dithione with experimental (FT-IR and FT-Raman) techniques and scaled quantum mechanical calculations

Vibrational spectra, monomer, dimer, NBO, HOMO, LUMO and NMR analyses of trans-4-hydroxy-l-proline

Density functional theory study of vibrational spectra, and assignment of fundamental vibrational modes of succinimide and N-bromosuccinimide

Deposition and characterization of Cu2ZnSnS4 thin films for photovoltaic applications

Quantum chemical computations, vibrational spectroscopic studies, NLO and NBO/NLMO analysis of o-chlorobenzohydrazide

Quantum chemical calculations, vibrational studies, HOMO–LUMO and NBO/NLMO analysis of 2-bromo-5-nitrothiazole

FT Raman and FT–IR spectral studies of 3-mercapto-1,2,4-triazole

Density functional theory calculations and vibrational spectra of 3,5-dibromopyridine and 3,5-dichloro-2,4,6-trifluoropyridine

FTIR, FT-Raman, scaled quantum chemical studies of the structure and vibrational spectra of 1,5-dinitronaphthalene

Analysis of vibrational spectra of 4-amino-2,6-dichloropyridine and 2-chloro-3,5-dinitropyridine based on density functional theory calculations

Vibrational analysis of 1,4-diaminoanthraquinone and 1,5-dichloroanthraquinone. A joint FTIR, FT-Raman and scaled quantum mechanical study

Vibrational spectral analysis of 1-methoxynaphthalene

Scaled quantum chemical studies of the structure and vibrational spectra of 2,4-diaminoquinazoline and 4-amino-2-methylquinoline

Deposition and characterization of Cu^sub 2^ZnSnS^sub 4^ thin films for photovoltaic applications

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