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Articles (37)

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1-10 of 37 results for natural bond order analysis

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Select article: Quantum chemical aspects of solvent effects on the Diels–Alder reaction of 2,3-dimethyl-1,3-butadiene and diethyl azodicarboxylate

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Research article

First published 2016-9

Quantum chemical aspects of solvent effects on the Diels–Alder reaction of 2,3-dimethyl-1,3-butadiene and diethyl azodicarboxylate

Foroogh Arkan, Mohammad Izadyar

Progress in Reaction Kinetics and Mechanism

Select article: Analytical model for harmonic response of dissimilar single-lap joints

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Research article

First published 2018-12

Analytical model for harmonic response of dissimilar single-lap joints

Mohamed O Gafar, Khalid H Almitani, Ramzi Othman

Proceedings of the Institution of Mechanical Engineers,Part K: Journal of Multi-body Dynamics

Select article: DFT study on the mechanism of the Diels–Alder reactions leading to bicyclo[4.2.0]octenones

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Research article

First published 2016-3

DFT study on the mechanism of the Diels–Alder reactions leading to bicyclo[4.2.0]octenones

Mina Haghdadi, Ali Moradi, Hassan Ghasemnejad Bosra

Progress in Reaction Kinetics and Mechanism

Select article: Theoretical Study and Nbo Analysis of the Kinetics and Mechanism of the Gas Phase Elimination Reactions of 2-Chloroethylsilane and Derivatives

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Research article

First published 2012-2

Theoretical Study and Nbo Analysis of the Kinetics and Mechanism of the Gas Phase Elimination Reactions of 2-Chloroethylsilane and Derivatives

Abolfazl Shiroudi, Ehsan Zahedi

Progress in Reaction Kinetics and Mechanism

Select article: Folding Dynamics of Proteins from Denatured to Native State: Principal Component Analysis

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Research article

First published 2004-12

Folding Dynamics of Proteins from Denatured to Native State: Principal Component Analysis

Ahmet Palazoglu, Attila Gursoy, Yaman Arkun [...]

Journal of Computational Biology

Select article: Social Theory and Social Policy

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Research article

First published 2005-05

Social Theory and Social Policy

Bill Jordan

European Journal of Social Theory

Select article: Coherent Anti-Stokes–Stokes Raman Cross-Correlation Spectroscopy: Asymmetric Frequency Shifts in Hydrogen-Bonded Pyridine-Water Complexes

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Research article

First published 2019-9

Coherent Anti-Stokes–Stokes Raman Cross-Correlation Spectroscopy: Asymmetric Frequency Shifts in Hydrogen-Bonded Pyridine-Water Complexes

Gombojav O. Ariunbold, Bryan Semon, Supriya Nagpal [...]

Applied Spectroscopy

Select article: Mitigating Uncertainty and Risk in Planning for Regional Preparedness: The Role of Bonding and Bridging Relationships

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Research article

First published 2013-3

Mitigating Uncertainty and Risk in Planning for Regional Preparedness: The Role of Bonding and Bridging Relationships

Simon A. Andrew, Jered B. Carr

Urban Studies

Select article: Review and Comparison of Fracture Mechanics-based Bond Strength Models for FRP-strengthened Structures

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Review article

First published 2006-11

Review and Comparison of Fracture Mechanics-based Bond Strength Models for FRP-strengthened Structures

Vistasp M. Karbhari, Hedong Niu, Charles Sikorsky

Journal of Reinforced Plastics and Composites

Select article: Comparative study of molecular docking,structural,electronic,vibrational and hydrogen bonding interactions on 4-hydroxy benzo hydrazide (4HBH) and its newly designed derivative [(E)–N ′ -((1H-Pyrrol-2-YL)methylene) –4-hydroxy benzo hydrazide and its isomers (I,II and III)] (potential inhibitors) for COVID-19 protease

Free access

Research article

First published 2021-10-05

Comparative study of molecular docking,structural,electronic,vibrational and hydrogen bonding interactions on 4-hydroxy benzo hydrazide (4HBH) and its newly designed derivative [(E)–N ′ -((1H-Pyrrol-2-YL)methylene) –4-hydroxy benzo hydrazide and its isomers (I,II and III)] (potential inhibitors) for COVID-19 protease

Anoop Kumar Pandey, Vijay Singh, Apoorva Dwivedi

Main Group Chemistry

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