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Research article

First published 2019-11

The synthesis and spectroscopic characterization of (+)-demethoxyaspidospermine: Density functional theory calculations of the structural,electronic,and non-linear optic and spectroscopic properties

Goncagül Serdaroğlu, Nesimi Uludağ

Journal of Chemical Research

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Research article

First published 2020-11

Simplified Ab Initio Molecular Dynamics-Based Raman Spectral Simulations

Edoardo Aprà, Ashish Bhattarai, Eric Baxter [...]

Applied Spectroscopy

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Research article

First published 2022-04-08

Electronic and structural computing features of some chromene derivatives and evaluating their anticancer activities

Setareh Azimzadeh-Sadeghi

Main Group Chemistry

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Research article

First published 1994-5

Temperature Effect on Pyrene as a Polarity Probe for Supercritical Fluid and Liquid Solutions

Shu-Hui Chen, Victoria L. McGuffin

Applied Spectroscopy

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Research article

First published 2026

Structural,vibrational,and electronic properties of 2-methyl-5-nitro-1 H -benzimidazole-6-amine: An experimental and theoretical approach

Seda Kulen

Main Group Chemistry

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Research article

First published 2014-02

The Organism/Organic Exposure to Orbital Stresses (O/OREOS) Satellite: Radiation Exposure in Low-Earth Orbit and Supporting Laboratory Studies of Iron Tetraphenylporphyrin Chloride

Amanda M. Cook, Andrew L. Mattioda, Antonio J. Ricco [...]

Astrobiology

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Research article

First published 2018-5

Factors Influencing the Potency of Alzheimer Inhibitors: Computational and Docking Studies

Faten Atlam, Mohamed Awad, Rehab Salama

American Journal of Alzheimer's Disease & Other Dementias®

Open access

Research article

First published 2022-6

Biomolecular Chemical Simulations on Enantioselectivity and Reactivity of Lipase Enzymes to Azulene Derivatives

Yoichiro Yagi, Takatomo Kimura, Makoto Kamezawa

Natural Product Communications

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Research article

First published 2012-1

Influences of phosphorus and sulphur on ductility dip cracking susceptibility in multipass weld metal of alloy 690

K Saida, Y Nomoto, H Okauchi [...]

Science and Technology of Welding and Joining

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Research article

First published 2025-7

A tale of two codes: CUDA vs OpenACC for mass-zero constrained dynamics

Alessia Vignolo, Taylor James Baird, Filippo Spiga [...]

The International Journal of High Performance Computing Applications

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