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An ab initio and DFT study of structure and vibrational spectra of gamma form of oleic acid: comparison to experimental data.Study on the structure and vibrational spectra of efavirenz conformers using DFT: comparison to experimental data.Simplified risk stratification criteria for identification of patients with MRSA bacteremia at low risk of infective endocarditis: implications for avoiding routine transesophageal echocardiography in MRSA bacteremia.Electro-Optical Parameters for Computation of Nonresonance Raman Scattering Intensities of Peptides.Structural and spectroscopic studies on 2-pyranones.FT-Raman, FT-IR, UV spectroscopic, NBO and DFT quantum chemical study on the molecular structure, vibrational and electronic transitions of clopidogrel hydrogen sulfate form 1: a comparison to form 2.Conformational analysis and vibrational study of daidzein by using FT-IR and FT-Raman spectroscopies and DFT calculations.Study of polymorphism in imatinib mesylate: a quantum chemical approach using electronic and vibrational spectra.Vibrational spectroscopy and density functional theory analysis of 3-O-caffeoylquinic acid.DFT study and heat capacity of polyaniline pernigraniline base.Molecular structure and vibrational spectroscopic investigation of secnidazole using density functional theory.Spectroscopic (far or terahertz, mid-infrared and Raman) investigation, thermal analysis and biological activity of piplartine.A combined experimental (IR, Raman and UV-Vis) and quantum chemical study of canadine.Computational approaches to find the active binding sites of biological targets against busulfan.Study of conformational stability, structural, electronic and charge transfer properties of cladrin using vibrational spectroscopy and DFT calculations.Molecular structure and vibrational spectra of N-acetylglycine oligomers and polyglycine I using DFT approach.Antagonistic properties of a natural product-Bicuculline with the gamma-aminobutyric acid receptor: studied through electrostatic potential mapping, electronic and vibrational spectra using ab initio and density functional theory.Quantum chemical and experimental studies on the structure and vibrational spectra of an alkaloid--Corlumine.Study of Cr→SmA phase transition and hydrogen bonding in four-ring bent-core liquid crystal.Experimental and theoretical (FT-IR, FT-Raman, UV-vis, NMR) spectroscopic analysis and first order hyperpolarizability studies of non-linear optical material: (2E)-3-[4-(methylsulfanyl) phenyl]-1-(4-nitrophenyl) prop-2-en-1-one using density functioQuantum chemical study on influence of intermolecular hydrogen bonding on the geometry, the atomic charges and the vibrational dynamics of 2,6-dichlorobenzonitrile.Spectroscopic and molecular structure (monomeric and dimeric model) investigation of Febuxostat: A combined experimental and theoretical studyCharacterization and intramolecular bonding patterns of busulfan: Experimental and quantum chemical approachConformational Study and Vibrational Spectroscopic (FT-IR and FT-Raman) Analysis of an Alkaloid-Borreverine DerivativeMolecular structure (monomeric and dimeric) and hydrogen bonds in 5-benzyl 2-thiohydantoin studied by FT-IR and FT-Raman spectroscopy and DFT calculationsMonitoring the In Vitro Thiazolidine Ring Formation of Antioxidant Drug N-Acetyl-L-Cysteine at Basic pH and Detection of Reaction Intermediates: A Raman Spectroscopic and Ab Initio StudyElectro-optical parameters of bond polarizability model for aluminosilicatesStructure and vibrational spectra of some 8-oxa[5]helicenesNormal mode analysis of gamma form of oleic acidConformational and vibrational studies of isomeric hydrogen cyanide tetramers by quantum chemical methodsExperimental (FT-IR, FT-Raman, NMR) and theoretical spectroscopic properties of intermolecular hydrogen bonded 1-acetyl-2-thiohydantoin polymorphsA comparative ab initio and DFT study of polyaniline leucoemeraldine base and its oligomersMolecular structure, vibrational spectra and HOMO, LUMO analysis of yohimbine hydrochloride by density functional theory and ab initio Hartree-Fock calculationsStructural, electronic, thermodynamical and charge transfer properties of Chloramphenicol Palmitate using vibrational spectroscopy and DFT calculationsIntermolecular charge transfer and vibrational analysis of hydrogen bonding in acetazolamideEvaluation of Structural Isomers, Molecular Interactions, Reactivity Descriptors, and Vibrational Analysis of TretinoinCombined spectroscopic and quantum chemical approach to study the effect of hydrogen bonding interactions in ezetimibe
P50
Q33516715-CC878CD9-36D2-41BC-9A9C-52C4DDADB75EQ34114116-AA7AF273-E2DD-4A90-B257-A3A3EE65FDBDQ36494439-42CD01EC-72B8-40D2-BA37-FFC7F051A85AQ40272294-6D916355-95EE-4E1A-977B-BF61C883341EQ43235444-81FC5D49-3ED3-4FEE-B240-A55DCA2EC418Q43741420-6550518F-9D77-42B3-A473-9E410E8DFB8AQ44301730-D29C2FD1-366A-4C42-AEE4-7C5EA21301D4Q44426261-F7992849-2E72-4E1B-8438-FBD8F14021A5Q44858131-727E3CD2-3270-4846-A880-04DCF9708CF9Q45944219-C596458E-2511-47F4-B612-B4D68F34AB9FQ46203667-D216B723-BA1D-4176-BF10-506E550E7416Q46361584-1D74E435-DE83-4EDD-93E3-6B4E5DBCE0A4Q50081339-205F3EFC-E434-40B8-901D-759BDF7EFE8AQ50636410-1FBB6D4D-1A60-4CF7-899B-CEDCF465851AQ51081739-B406539B-0F5A-4D9E-8B56-B4419635605DQ51124299-D49D117F-FF7A-49CF-905C-C51EFA21325DQ51526348-C49AD8F5-97CB-4D77-98C0-80C1F9A9650FQ51594618-04F0A038-6386-4DB7-9205-266B06C6D6D3Q52910364-53C2A0E7-0838-4D38-9A58-59F3463FD52AQ53566658-500C393F-80D2-42DB-8676-25E67DA2DC82Q54520868-10405473-45EE-4076-9FD8-8CD0F2301BA2Q56986384-CF378F78-C1B0-4401-A6DF-4F831F32A7E2Q57153270-B28AF227-FBE0-4726-8499-678339C5DF09Q57153902-EE016220-51A5-4E60-A059-A628669DD798Q57162186-89238046-A90C-4203-AC9C-FEA15D862E65Q57814930-350F42F2-09BF-427E-8C4F-96D2FF7F0EE4Q83001850-ABBEE8C2-42F1-4BC8-B94E-37CE4CA86B05Q83178216-D015671E-906A-4450-8A2E-3492FC77E107Q83212246-6D384065-CA69-46F7-8BF4-700E1D075894Q83245204-D1D785BB-6669-4FFF-B789-AB61645694CCQ83451472-340D3B21-1A44-4F46-8628-66FF621A25CDQ84720990-A9EA5664-FDE8-4DF4-A87E-76885F7B8D95Q84798970-978A818E-95BC-4FF0-A5C6-4F6E6A6BDB91Q85350916-8D82BD07-EC99-427C-969F-F03264A943F2Q87440152-E970A8F5-BF51-4A52-9EDD-2B9A94103221Q89488998-51C2FA0F-22A5-4E64-8DF9-5C66249B0087Q91017587-D4D18F9B-B09A-4810-8DD4-714B601A1F15
P50
description
investigador
@es
researcher
@en
wetenschapper
@nl
name
Poonam Tandon
@en
Poonam Tandon
@nl
type
label
Poonam Tandon
@en
Poonam Tandon
@nl
prefLabel
Poonam Tandon
@en
Poonam Tandon
@nl
P31
P496
0000-0002-8120-0498