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Fixed-Node Diffusion Quantum Monte Carlo Method on Dissociation Energies and Their Trends for R–X Bonds (R = Me, Et, i-Pr, t-Bu)

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Role of dispersion corrected hybrid GGA class in accurately calculating the bond dissociation energy of carbon halogen bond: A benchmark study

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Assessment of Contemporary Theoretical Methods for Bond Dissociation Enthalpies

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Flavin-Dependent Methylation of RNAs: Complex Chemistry for a Simple Modification

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A dataset of highly accurate homolytic NBr bond dissociation energies obtained by Means of W2 theory

(2015) Robert J. O'Reilly et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Function and information content of DNA methylation

(2015) Dirk Schübeler   NATURE

Theoretical study on homolytic C(sp2)–O cleavage in ethers and phenols

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Mediation of donor–acceptor distance in an enzymatic methyl transfer reaction

(2015) Jianyu Zhang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Mechanism and Function of Oxidative Reversal of DNA and RNA Methylation

(2014) Li Shen et al.   Annual Review of Biochemistry

Trends in Bond Dissociation Energies of Alcohols and Aldehydes Computed with Multireference Averaged Coupled-Pair Functional Theory

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A big data approach to the ultra-fast prediction of DFT-calculated bond energies

(2013) Xiaohui Qu et al.   Journal of Cheminformatics

S-Adenosyl-Methionine-Dependent Methyltransferases: Highly Versatile Enzymes in Biocatalysis, Biosynthesis and Other Biotechnological Applications

(2012) Anna-Winona Struck et al.   CHEMBIOCHEM

BDE261: A Comprehensive Set of High-Level Theoretical Bond Dissociation Enthalpies

(2012) Bun Chan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

NH and NCl homolytic bond dissociation energies and radical stabilization energies: An assessment of theoretical procedures through comparison with benchmark-quality W2w data

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Bond dissociation energies for removal of the hydroxyl group in some alcohols from quantum chemical calculations

(2011) Jun Zhao et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Enzymatic Methyl Transfer: Role of an Active Site Residue in Generating Active Site Compaction That Correlates with Catalytic Efficiency

(2011) Jianyu Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structural Basis for Methyl Transfer by a Radical SAM Enzyme

(2011) A. K. Boal et al.   SCIENCE

Theoretical studies on nitrogen rich energetic azoles

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Bio-butanol: Combustion properties and detailed chemical kinetic model

(2009) G. Black et al.   COMBUSTION AND FLAME

Linking DNA methylation and histone modification: patterns and paradigms

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Systematic optimization of long-range corrected hybrid density functionals

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