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Auxiliary Therapeutic Role of Cholinergic Agents: Mechanistic Insights into the Antioxidant Behavior of Alzheimer’s Disease Drugs

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-02, Vol.126 (4), p.546-556

2022

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New insights into the mechanism and kinetics of the addition reaction of unsaturated Criegee intermediates to CF 3 COOH and tropospheric implications

Environmental science--processes & impacts, 2024-04, Vol.26 (4), p.751-764

2024

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Exploring hydrogen bond in the excited state leading toward intramolecular proton transfer: detailed analysis of the structure and charge density topology along the reaction path using QTAIM

Journal of molecular modeling, 2012-09, Vol.18 (9), p.4225-4237

2012

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Blue shifts of the C----H stretching vibrations in hydrogen-bonded and protonated trimethylamine. Effect of hyperconjugation on bond properties

Journal of computational chemistry, 2008-07, Vol.29 (9), p.1490-1496

2008

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Theoretical Study of the O···Cl Interaction in Fluorinated Dimethyl Ethers Complexed with a Cl Atom: Is It through a Two-Center–Three-Electron Bond?

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-08, Vol.117 (33), p.8010-8016

2013

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A theoretical investigation of the interaction between substituted carbonyl derivatives and water: Open or cyclic complexes?

Journal of computational chemistry, 2012-04, Vol.33 (11), p.1131-1141

2012

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Strong Hyperconjugative Interactions in Isolated and Water Complexes of Desflurane: A Theoretical Investigation

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-09, Vol.117 (36), p.8545-8554

2013

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Theoretical investigation on gas-phase reaction of CF3CH2OCH3 with OH radicals and fate of alkoxy radicals (CF3CH(O)OCH3/CF3CH2OCH2O)

Journal of molecular graphics & modelling, 2014-05, Vol.50, p.90-99

2014

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Theoretical Study of the Substituent Effects on the S−H Bond Dissociation Energy and Ionization Energy of 3-Pyridinethiol: Prediction of Novel Antioxidant

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-09, Vol.110 (37), p.10904-10911

2006

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A theoretical investigation on the conformation and the interaction of CHF2OCF2CHF2 (desflurane II) with one water molecule

Journal of molecular modeling, 2013-11, Vol.19 (11), p.5045-5052

2013

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Synthesis, crystal structures, cytotoxicity and qualitative structure-activity relationship (QSAR) of cis-bis{5-[(E)-2-(aryl)-1-diazenyl]quinolinolato}di-n-butyltin(IV) complexes, (n)Bu2Sn(L)2

Journal of inorganic biochemistry, 2008-09, Vol.102 (9), p.1719-1730

2008

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Nitrous Oxide as a 1,3-Dipole: A Theoretical Study of Its Cycloaddition Mechanism

Journal of organic chemistry, 2001-09, Vol.66 (18), p.6096-6103

2001

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Methyl and Phenyl Substitution Effects on the Proton Affinities of Hydrides of First and Second Row Elements and Substituent Effects on the Proton Affinities of Ring Carbons in Benzene: A DFT Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-04, Vol.110 (13), p.4509-4515

2006

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Theoretical studies on the kinetics and mechanism of the gas-phase reactions of CHF(2)OCHF (2) with OH radicals

Journal of molecular modeling, 2012-09, Vol.18 (9), p.4239

Chandra, Asit K

2012

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Theoretical and vibrational study of the conformation of 2-methoxy-1,2-diphenylethanone

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2002, Vol.58 (1), p.17-31

2002

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Theoretical study of (CH...C)- hydrogen bonds in CH(4-n)X(n) (X = F, Cl; n = 0, 1, 2) systems complexed with their homoconjugate and heteroconjugate carbanions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-12, Vol.109 (51), p.12006

2005

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Theoretical investigation of the interaction between fluorinated dimethyl ethers (nF = 1-5) and water: role of the acidity and basicity on the competition between OH...O and CH...O hydrogen bonds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-05, Vol.113 (21), p.6182-6191

2009

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Theoretical and experimental study of the vibrational spectrum of N-acetyl- l-alanine

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2000-02, Vol.56 (3), p.591-602

2000

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Design and synthesis of novel Y-shaped barbituric acid derivatives as PPARγ activators

European journal of medicinal chemistry, 2016-01, Vol.108, p.423-435

2016

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Photophysics of Soret-excited free base tetraphenylporphyrin and its zinc analog in solution

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2013-12, Vol.116, p.466-472

2013

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The Heterogeneity of Measles Epidemiology in India: Implications for Improving Control Measures

The Journal of infectious diseases, 2011-07, Vol.204 (suppl_1), p.S421-S426

2011

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Sequence-Based Appraisal of the Genes Encoding Neck and Carbohydrate Recognition Domain of Conglutinin in Blackbuck (Antilope cervicapra) and Goat (Capra hircus)

BioMed research international, 2014-01, Vol.2014 (2014), p.1-10

2014

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Auxiliary Therapeutic Role of Cholinergic Agents: Mechanistic Insights into the Antioxidant Behavior of Alzheimer’s Disease Drugs

New insights into the mechanism and kinetics of the addition reaction of unsaturated Criegee intermediates to CF 3 COOH and tropospheric implications

Exploring hydrogen bond in the excited state leading toward intramolecular proton transfer: detailed analysis of the structure and charge density topology along the reaction path using QTAIM

Blue shifts of the C----H stretching vibrations in hydrogen-bonded and protonated trimethylamine. Effect of hyperconjugation on bond properties

Theoretical Study of the O···Cl Interaction in Fluorinated Dimethyl Ethers Complexed with a Cl Atom: Is It through a Two-Center–Three-Electron Bond?

A theoretical investigation of the interaction between substituted carbonyl derivatives and water: Open or cyclic complexes?

Strong Hyperconjugative Interactions in Isolated and Water Complexes of Desflurane: A Theoretical Investigation

Theoretical investigation on gas-phase reaction of CF3CH2OCH3 with OH radicals and fate of alkoxy radicals (CF3CH(O)OCH3/CF3CH2OCH2O)

Theoretical Study of the Substituent Effects on the S−H Bond Dissociation Energy and Ionization Energy of 3-Pyridinethiol: Prediction of Novel Antioxidant

A theoretical investigation on the conformation and the interaction of CHF2OCF2CHF2 (desflurane II) with one water molecule

Synthesis, crystal structures, cytotoxicity and qualitative structure-activity relationship (QSAR) of cis-bis{5-[(E)-2-(aryl)-1-diazenyl]quinolinolato}di-n-butyltin(IV) complexes, (n)Bu2Sn(L)2

Nitrous Oxide as a 1,3-Dipole: A Theoretical Study of Its Cycloaddition Mechanism

Methyl and Phenyl Substitution Effects on the Proton Affinities of Hydrides of First and Second Row Elements and Substituent Effects on the Proton Affinities of Ring Carbons in Benzene: A DFT Study

Theoretical studies on the kinetics and mechanism of the gas-phase reactions of CHF(2)OCHF (2) with OH radicals

Theoretical and vibrational study of the conformation of 2-methoxy-1,2-diphenylethanone

Theoretical study of (CH...C)- hydrogen bonds in CH(4-n)X(n) (X = F, Cl; n = 0, 1, 2) systems complexed with their homoconjugate and heteroconjugate carbanions

Theoretical investigation of the interaction between fluorinated dimethyl ethers (nF = 1-5) and water: role of the acidity and basicity on the competition between OH...O and CH...O hydrogen bonds

Theoretical and experimental study of the vibrational spectrum of N-acetyl- l-alanine

Design and synthesis of novel Y-shaped barbituric acid derivatives as PPARγ activators

Photophysics of Soret-excited free base tetraphenylporphyrin and its zinc analog in solution

The Heterogeneity of Measles Epidemiology in India: Implications for Improving Control Measures

Sequence-Based Appraisal of the Genes Encoding Neck and Carbohydrate Recognition Domain of Conglutinin in Blackbuck (Antilope cervicapra) and Goat (Capra hircus)

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