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Chelating effect of alizarin-oxalate on La3+ and Nd3+ in acidic, basic and neutral medium: a DFT study

Theoretical chemistry accounts, 2024-03, Vol.143 (3), Article 21

2024

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Atomistic simulation studies of magnetite surface structures and adsorption behavior in the presence of molecular and dissociated water and formic acid

Journal of colloid and interface science, 2006-03, Vol.295 (2), p.364-373

2006

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Enhanced nonlinear optical responses in metal–glass nanocomposites

Applied surface science, 2009-10, Vol.256 (2), p.389-394

2009

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Exploring the influence of bis-phosphine ligands on lanthanide complexes: A DFT study

Computational and theoretical chemistry, 2024-05, Vol.1235, p.114568, Article 114568

2024

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Competitive Adsorption on Wollastonite: An Atomistic Simulation Approach

The journal of physical chemistry. B, 2005-06, Vol.109 (22), p.11286-11295

2005

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Origin of methyl torsional barrier in 1-methyl-2(1H)-pyridinimine and 3-methyl-2(1H)-pyridone: II. Ground state

The Journal of chemical physics, 2007-03, Vol.126 (11), p.114313-114313

2007

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Quantum chemical calculation based investigation of synergistic chelating between multiple hydroxyamide ligands and La3+ ion

Computational and theoretical chemistry, 2019-12, Vol.1170, p.112643, Article 112643

2019

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Atomistic simulation of the surface structure of wollastonite

Chemical physics letters, 2003-08, Vol.377 (1), p.81-92

2003

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Origin of methyl torsional barrier in 1-methyl-2-(1H)-pyridone

The Journal of chemical physics, 2005-05, Vol.122 (20), p.204323-204323

2005

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Spectroscopic studies on methyl torsional behavior in 1-methyl-2(1H)-pyridone, 1-methyl-2(1H)-pyridinimine, and 3-methyl-2(1H)-pyridone. I. Excited state

The Journal of chemical physics, 2007-03, Vol.126 (11), p.114312-114312

2007

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Sintering kinetic study of the nano-crystalline 3-mol% yttria-samaria codoped tetragonal zirconia polycrystal ceramics

Journal of thermal analysis and calorimetry, 2014-02, Vol.115 (2), p.1303-1310

2014

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Origin of threefold symmetric torsional potential of methyl group in 4-methylstyrene

The Journal of chemical physics, 2006-04, Vol.124 (14), p.144316-144316

2006

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Quantum confinement effect in nanocomposites

Applied surface science, 2001-10, Vol.182 (3), p.251-257

2001

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Thermodynamic interdiffusion coefficient in binary systems with intermediate phases

Intermetallics, 1999-08, Vol.7 (8), p.901-908

1999

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Variable temperature EPR, optical and magnetic studies of a macrobicyclic cage complex of Cu(II) in pure and zinc-doped systems: evidence for a Jahn-Teller distortion

Molecular physics, 1999-09, Vol.97 (5), p.709-720

TAPAN KUMAR KUNDU, PERIAKARUPPAN T. MANOHARAN

1999

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Presence of Jahn-Teller distortions in a novel six-coordinate Ag(II) complex: temperature dependent EPR, optical and magnetic susceptibility measurements

Molecular physics, 2000-12, Vol.98 (24), p.2007-2019

2000

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Origin of threefold methyl torsional potential in methylindoles

Theoretical chemistry accounts, 2008-09, Vol.121 (1-2), p.59-70

2008

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Sign of V 6 term in internal rotation potential of acetaldehyde. Theory and experiment in harmony

The Journal of chemical physics, 1994-01, Vol.100 (2), p.1274-1277

1994

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Partitioned energetics for propene internal rotation

The Journal of chemical physics, 1995-07, Vol.103 (4), p.1523-1529

1995

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Effect of solvent polarity on the yield of twisted intramolecular charge transfer (TICT) emission. Competition between formation and nonradiative decay of the TICT state

Chemical physics letters, 1989-08, Vol.160 (3), p.257-260

1989

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Getting the Shape of Methyl Internal Rotation Potential Surfaces Right

Journal of physical chemistry (1952), 1996-02, Vol.100 (8), p.2770-2783

1996

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Dynamic and static Jahn-Teller distortions in a CuN6 cage complex

Chemical physics letters, 1995-08, Vol.241 (5-6), p.627-634

1995

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An electron paramagnetic resonance investigation of a macrobicyclic cage complex of Ag(II). Dynamic and static Jahn-Teller distortions

Chemical physics letters, 1997-01, Vol.264 (3), p.338-344

1997

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Excited state deprotonation reactions of aromatic amines: a diffusion-controlled process

Journal of photochemistry and photobiology. A, Chemistry., 1989-07, Vol.48 (1), p.61-68

1989

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Circular dichroism spectrum of gadolinium diglycolate single crystal

Chemical physics, 1991-09, Vol.156 (1), p.95-101

1991

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Chelating effect of alizarin-oxalate on La3+ and Nd3+ in acidic, basic and neutral medium: a DFT study

Atomistic simulation studies of magnetite surface structures and adsorption behavior in the presence of molecular and dissociated water and formic acid

Enhanced nonlinear optical responses in metal–glass nanocomposites

Exploring the influence of bis-phosphine ligands on lanthanide complexes: A DFT study

Competitive Adsorption on Wollastonite: An Atomistic Simulation Approach

Origin of methyl torsional barrier in 1-methyl-2(1H)-pyridinimine and 3-methyl-2(1H)-pyridone: II. Ground state

Quantum chemical calculation based investigation of synergistic chelating between multiple hydroxyamide ligands and La3+ ion

Atomistic simulation of the surface structure of wollastonite

Origin of methyl torsional barrier in 1-methyl-2-(1H)-pyridone

Spectroscopic studies on methyl torsional behavior in 1-methyl-2(1H)-pyridone, 1-methyl-2(1H)-pyridinimine, and 3-methyl-2(1H)-pyridone. I. Excited state

Sintering kinetic study of the nano-crystalline 3-mol% yttria-samaria codoped tetragonal zirconia polycrystal ceramics

Origin of threefold symmetric torsional potential of methyl group in 4-methylstyrene

Quantum confinement effect in nanocomposites

Thermodynamic interdiffusion coefficient in binary systems with intermediate phases

Variable temperature EPR, optical and magnetic studies of a macrobicyclic cage complex of Cu(II) in pure and zinc-doped systems: evidence for a Jahn-Teller distortion

Presence of Jahn-Teller distortions in a novel six-coordinate Ag(II) complex: temperature dependent EPR, optical and magnetic susceptibility measurements

Origin of threefold methyl torsional potential in methylindoles

Sign of V 6 term in internal rotation potential of acetaldehyde. Theory and experiment in harmony

Partitioned energetics for propene internal rotation

Effect of solvent polarity on the yield of twisted intramolecular charge transfer (TICT) emission. Competition between formation and nonradiative decay of the TICT state

Getting the Shape of Methyl Internal Rotation Potential Surfaces Right

Dynamic and static Jahn-Teller distortions in a CuN6 cage complex

An electron paramagnetic resonance investigation of a macrobicyclic cage complex of Ag(II). Dynamic and static Jahn-Teller distortions

Excited state deprotonation reactions of aromatic amines: a diffusion-controlled process

Circular dichroism spectrum of gadolinium diglycolate single crystal

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