Titus V. Albu

Structural impacts of two disease-linked ADAR1 mutants: a molecular dynamics study

Wen‐Chieh Huang, Chia-Hung Hsu, Titus V. Albu, Chia‐Ning Yang

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Structural Impacts of Two Disease-linked ADAR1 Mutants: A Molecular Dynamics Study

Wen‐Chieh Huang, Chia-Hung Hsu, Titus V. Albu, Chia‐Ning Yang

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Structural Impacts of Two Disease-Linked Adar1 Mutants:A Molecular Dynamics Study

Wen‐Chieh Huang, Chia-Hung Hsu, Titus V. Albu, Chia‐Ning Yang

Polyrate 2023: A computer program for the calculation of chemical reaction rates for polyatomics. New version announcement

Rubén Meana‐Pañeda, Jingjing Zheng, Junwei Lucas Bao, Shuxia Zhang et autres

Polyrate is a suite of computer programs for the calculation of chemical reaction rates of polyatomic species (including atoms and diatoms as special cases) by variational transition state theory (VTST); conventional transition state theory is also supported. Polyrate can calculate the rate …

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Studies on lysozyme modifications induced by substituted p-benzoquinones

Jisook Kim, Charles A. Thomas, Jacob M. Ewald, Neethu M. Kurien et autres

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Interaction with calf-thymus DNA and photoinduced cleavage of pBR322 by rhodium(III) and iridium(III) complexes containing crown thioether ligands

Jisook Kim, Ashley D. Cardenal, Hendrik J. Greve, Weinan Chen et autres

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Synthetic, structural, and spectroscopic studies of mixed sandwich Ru(II) complexes involving η6-p-cymene with monodentate fluorine-containing phosphines or phosphites

John P. Lee, Michael J. Hankins, Ashley D. Riner, Titus V. Albu

Syntheses, structures, spectroscopy, and calculated structures for several Ru(II) complexes involving p-cymene and either fluorine-containing phosphines or phosphites are reported. The complexes are readily prepared by ligand substitution reactions from [{Ru(p-cymene)Cl2}2] to produce [Ru(p-cymene)(L)Cl2] {L = P(C6H4-p-F)3 (1), P(C6H4-p-CF3)3 (2), P(C6H3(m-CF3)2)3 (3), …

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A comparison study on ribonuclease A modifications induced by substituted p-benzoquinones

Jisook Kim, Titus V. Albu, Albert R. Vaughn, Sophia M. Kang et autres

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Modifications of ribonuclease A induced by p-benzoquinone

Jisook Kim, Albert R. Vaughn, Chris Cho, Titus V. Albu et autres

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ChemInform Abstract: Computational Chemistry of Polyatomic Reaction Kinetics and Dynamics: The Quest for an Accurate CH5 Potential Energy Surface

Titus V. Albu, J. Espinosa-Garcı́a, Donald G. Truhlar

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article …

Computational Chemistry of Polyatomic Reaction Kinetics and Dynamics: The Quest for an Accurate CH5Potential Energy Surface

Titus V. Albu, J. Espinosa-Garcı́a, Donald G. Truhlar

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTComputational Chemistry of Polyatomic Reaction Kinetics and Dynamics: The Quest for an Accurate CH5 Potential Energy SurfaceTitus V. Albu, Joaquín Espinosa-García, and Donald G. TruhlarView Author Information Department of Chemistry, Box 5055, Tennessee Technological University, Cookeville, Tennessee 38505 Departamento …

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Hybrid density functional theory with a specific reaction parameter: hydrogen abstraction reaction of difluoromethane by the hydroxyl radical

Titus V. Albu, Saravanan Swaminathan

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