Current affiliation: University of MadrasSubject: ChemistryPrimary location: India
Published in:Chemical CommunicationsPublication date:2011-01-01
Published in:Chemical CommunicationsPublication date:2010-01-01
N-amidothioureas serve as a new generation of thiourea based anion receptors.In this study a novel N-benzamidobisthiourea derivative with two thio...
Published in:Journal of Structural BiologyPublication date:2010-06-01
Folding and self-assembly of amyloid beta (Ab) peptide are linked to Alzheimer’s disease. To understand the initial stage of amyloid-b peptide aggr...
Published in:Tetrahedron LettersPublication date:2010-10-01
The design and synthesis of 1,3-dithiol linked acridinedione functionalized gold nanoparticles (ADDDTGNP) is described. ADDDT-GNP was characterized...
Published in:European Journal of Medicinal ChemistryPublication date:2009-05-01
Published in:Journal of Photochemistry and Photobiology A ChemistryPublication date:2012-02-01
Published in:Journal of Molecular Catalysis A ChemicalPublication date:2006-01-01
Published in:Journal of Pharmaceutical SciencesPublication date:2009-06-01
Published in:Biochimica et Biophysica Acta (BBA) - Proteins and ProteomicsPublication date:2008-11-01
Published in:Not availablePublication date:1980-01-01
The phenomenon of excimer luminescence in aromatic hydrocarbons has been
the subject of many theoretical and experimental works. This study examine...
Published in:HeterocyclesPublication date:2000-01-01
Published in:The Journal of Organic ChemistryPublication date:1992-06-01
Cyclopentadienyl anion (Cp-) is a versatile ligand in organometallic chemistry. Quantum chemical study reveals that the phosphorus analogues of Cp...
Published in:The Journal of Physical ChemistryPublication date:1984-08-01
Structural optimization of low-lying singlet and triplet excited states in benzene, fluorobenzene, phenol, aniline, toluene, and nitrobenzene were ...
Published in:ChemPhysChemPublication date:2004-08-20
Published in:Journal of Chemical SciencesPublication date:2007-09-01
The interaction of pres1 region of hepatitis B virus B-cell epitope antigen with specific hepatitis B neutralizing monoclonal antibody was examined...
Published in:Journal of Molecular NeurosciencePublication date:2010-05-18
Published in:Tetrahedron LettersPublication date:1990-01-01
Published in:Journal of Structural BiologyPublication date:2009-05-01
Published in:ChemInformPublication date:2010-06-07
Published in:ChemInformPublication date:2010-06-13
Published in:Inorganic ChemistryPublication date:2003-06-01
Stability in penta- and decaphospha analogues of lithocene anion and beryllocene is investigated by the density functional theory at the B3LYP/6-31...
Published in:Theoretical Chemistry AccountsPublication date:2005-05-12
Density functional theory (DFT) calculations and natural
population analysis (NPA) performed on metallocenes of Fe,
Ru and Os triad reveal that t...
Published in:The Journal of Physical ChemistryPublication date:1985-11-01
Structural optimization of low-lying singlet and triplet excited states in para-disubstituted benzenes: p-difluorobenzene, p-quinol, p-fluoroanilin...
Published in:The Journal of Physical ChemistryPublication date:1987-09-10
The energy profiles for the decomposition of the lowest triplet state of acetaldehyde via different pathways have been computed quantum chemically...
Published in:The Journal of Physical ChemistryPublication date:1981-07-01
Quantum chemical study of interactions in the van der Waals dimer, the
singlet and triplet excimers, and the cation and the anion
of ethylene dime...
Published in:Bulletin of the Chemical Society of JapanPublication date:2002-01-01
Published in:European Journal of Inorganic ChemistryPublication date:2004-07-01
Density functional theory (DFT) calculations and natural population analysis (NPA) performed on metallocenes of Fe, Ru and Os triad reveal that the...
Published in:The Journal of Physical Chemistry APublication date:2012-01-12
Proflavine (3,6-diaminoacridine) shows fluorescence emission with lifetime 4.6 ns in all the solvents irrespective of the solvent polarity. To unde...
Published in:International Journal of Quantum ChemistryPublication date:1992-01-20
Hydrogen abstraction from methane by methyl is computed by quantum chemical methods and then symmetrized by properly defining the reaction coordina...
Published in:Journal of FluorescencePublication date:2010-04-06
Published in:FEBS JournalPublication date:2008-04-18
Interactions of Aβ(28-35) and its mutants with lipids
Published in:OrganometallicsPublication date:2003-12-01
Electrocyclic ring opening of cis-Dewar silabenzenes and cis-Dewar
phosphabenzenes was studied by B3LYP, MP2 and CCSD(T) computations. The result...
Published in:ChemInformPublication date:2009-08-18
Published in:TetrahedronPublication date:1986-01-01
Singlet and triplet excited states of antiaromatic molecules containing five-membered rings with four pi electrons and bicyclo-(1,1,0)-butadiene, b...
Published in:Journal of Molecular Structure THEOCHEMPublication date:1995-06-01
The low-lying excited states of fulvene are examined by configuration interaction (CI) calculations using the SINDOl method. The structural optimiz...
Published in:TetrahedronPublication date:1996-03-01
The low-lying excited states of three membered ring systems are investigated by Configuration Interaction calculations using SINDO1 method. Though ...
Published in:ChemInformPublication date:2004-08-31
Published in:Heteroatom ChemistryPublication date:1998-01-01
Published in:Heteroatom ChemistryPublication date:1999-01-01
Published in:Journal of Chemical SciencesPublication date:2015-07-01
Cu(II) ion catalyzed kinetics of oxidation of H2O2 by [Ni(III)L2] (L2 = 1,8-bis(2-hydroxyethyl)-1,3,6,8,10,13-hexaazacyclotetradecane) was studied ...