| Year |
Citation |
Score |
| 2020 |
Xie YC, Eriksson LA, Zhang RB. Molecular dynamics study of the recognition of ATP by nucleic acid aptamers. Nucleic Acids Research. PMID 32442296 DOI: 10.1093/Nar/Gkaa428 |
0.317 |
|
| 2020 |
Chatgilialoglu C, Eriksson LA, Krokidis MG, Masi A, Wang S, Zhang R. Oxygen Dependent Purine Lesions in Double-Stranded Oligodeoxynucleotides: Kinetic and Computational Studies Highlight the Mechanism for 5',8-Cyplopurine Formation. Journal of the American Chemical Society. PMID 32129616 DOI: 10.1021/Jacs.0C00945 |
0.335 |
|
| 2020 |
Mahdizadeh SJ, Carlesso A, Eriksson LA. Deciphering the selectivity of inhibitor MKC9989 towards residue K907 in IRE1α; a multiscale in silico approach Rsc Advances. 10: 19720-19729. DOI: 10.1039/D0Ra01895C |
0.32 |
|
| 2020 |
Carrascoza F, Surducan M, Eriksson LA, Silaghi-Dumitrescu R. Interaction of cobalt and iron hydroperoxo bleomycin with deoxyribonucleic acid (DNA): Dynamic vs. electronic structure considerations Inorganica Chimica Acta. 509: 119682. DOI: 10.1016/J.Ica.2020.119682 |
0.378 |
|
| 2019 |
Wu M, Farkas D, Eriksson LA, Strid Å. Proline 411 biases the conformation of the intrinsically disordered plant UVR8 photoreceptor C27 domain altering the functional properties of the peptide. Scientific Reports. 9: 818. PMID 30692548 DOI: 10.1038/S41598-018-37005-8 |
0.318 |
|
| 2018 |
Hörberg J, Saenz-Mendez P, Eriksson LA. QM/MM Studies of Dph5 - A Promiscuous Methyltransferase in the Eukaryotic Biosynthetic Pathway of Diphthamide. Journal of Chemical Information and Modeling. 58: 1406-1414. PMID 29927239 DOI: 10.1021/Acs.Jcim.8B00217 |
0.32 |
|
| 2017 |
Zhao S, Eriksson LA, Zhang RB. Theoretical Insights on the Inefficiency of RNA Oxidative Damage Under Aerobic Conditions. The Journal of Physical Chemistry. A. PMID 29206039 DOI: 10.1021/Acs.Jpca.7B10711 |
0.321 |
|
| 2016 |
Genheden S, Eriksson LA. Estimation of Liposome Penetration Barriers of Drug Molecules with All-Atom and Coarse-Grained Models. Journal of Chemical Theory and Computation. 12: 4651-61. PMID 27541708 DOI: 10.1021/Acs.Jctc.6B00557 |
0.301 |
|
| 2016 |
Billod JM, Saenz-Mendez P, Blomberg A, Eriksson LA. Structures, Properties, and Dynamics of Intermediates in eEF2-Diphthamide Biosynthesis. Journal of Chemical Information and Modeling. 56: 1776-86. PMID 27525663 DOI: 10.1021/Acs.Jcim.6B00223 |
0.327 |
|
| 2016 |
Churchill CD, Eriksson LA, Wetmore SD. DNA Distortion Caused by Uracil-Containing Intrastrand Cross-Links. The Journal of Physical Chemistry. B. 120: 1195-204. PMID 26830475 DOI: 10.1021/Acs.Jpcb.5B10381 |
0.584 |
|
| 2016 |
Zhao Q, Zhao K, Wu Sy, Tian Bx, Eriksson LA, Wang Lm, An N, Long Zz, Cai Sh. On the formation of a side product with hexahydroaporphine-like structure in the Grewe cyclization of dextromethorphan Research On Chemical Intermediates. 1-20. DOI: 10.1007/S11164-016-2723-4 |
0.326 |
|
| 2014 |
Grand A, Jorge N, Morell C, Cadet J, Eriksson LA. Deamination features of 5-hydroxymethylcytosine, a radical and enzymatic DNA oxidation product. Journal of Molecular Modeling. 20: 2290. PMID 24863534 DOI: 10.1007/S00894-014-2290-9 |
0.341 |
|
| 2014 |
Bermúdez E, Ventura ON, Eriksson LA, Saenz-Méndez P. Improved homology model of cyclohexanone monooxygenase from Acinetobacter calcoaceticus based on multiple templates Computational Biology and Chemistry. 49: 14-22. PMID 24530814 DOI: 10.1016/J.Compbiolchem.2014.01.012 |
0.309 |
|
| 2014 |
Wu M, Strid Å, Eriksson LA. Photochemical reaction mechanism of UV-B-induced monomerization of UVR8 dimers as the first signaling event in UV-B-regulated gene expression in plants. The Journal of Physical Chemistry. B. 118: 951-65. PMID 24410443 DOI: 10.1021/Jp4104118 |
0.321 |
|
| 2013 |
Labet V, Jorge N, Morell C, Douki T, Grand A, Cadet J, Eriksson LA. UV-induced formation of the thymine-thymine pyrimidine (6-4) pyrimidone photoproduct--a DFT study of the oxetane intermediate ring opening. Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society For Photobiology. 12: 1509-16. PMID 23831678 DOI: 10.1039/C3Pp50069A |
0.371 |
|
| 2013 |
Qi C, Liu FC, Eriksson LA, Zhang RB. Insight into reaction mechanism and product formation a C8-purine radical in RNA: a theoretical perspective Theoretical Chemistry Accounts. 132: 1355. DOI: 10.1007/S00214-013-1355-7 |
0.414 |
|
| 2012 |
Tian BX, Eriksson LA. Catalytic mechanism and product specificity of oxidosqualene-lanosterol cyclase: a QM/MM study. The Journal of Physical Chemistry. B. 116: 13857-62. PMID 23130825 DOI: 10.1021/Jp3091396 |
0.317 |
|
| 2012 |
Tian BX, Erdtman E, Eriksson LA. Catalytic mechanism of porphobilinogen synthase: the chemical step revisited by QM/MM calculations. The Journal of Physical Chemistry. B. 116: 12105-12. PMID 22974111 DOI: 10.1021/Jp304743C |
0.374 |
|
| 2012 |
Shamovsky I, Ripa L, Blomberg N, Eriksson LA, Hansen P, Mee C, Tyrchan C, O'Donovan M, Sjö P. Theoretical studies of chemical reactivity of metabolically activated forms of aromatic amines toward DNA. Chemical Research in Toxicology. 25: 2236-52. PMID 22946514 DOI: 10.1021/Tx300313B |
0.331 |
|
| 2012 |
Fagan V, Bonham S, Carty MP, Saenz-Méndez P, Eriksson LA, Aldabbagh F. COMPARE analysis of the toxicity of an iminoquinone derivative of the imidazo[5,4-f]benzimidazoles with NAD(P)H:quinone oxidoreductase 1 (NQO1) activity and computational docking of quinones as NQO1 substrates. Bioorganic & Medicinal Chemistry. 20: 3223-32. PMID 22522008 DOI: 10.1016/J.Bmc.2012.03.063 |
0.303 |
|
| 2012 |
Cerezo J, Zúñiga J, Bastida A, Requena A, Cerón-Carrasco JP, Eriksson LA. Antioxidant properties of β-carotene isomers and their role in photosystems: insights from Ab initio simulations. The Journal of Physical Chemistry. A. 116: 3498-506. PMID 22404131 DOI: 10.1021/Jp301485K |
0.355 |
|
| 2011 |
Churchill CD, Eriksson LA, Wetmore SD. Formation mechanism and structure of a guanine-uracil DNA intrastrand cross-link. Chemical Research in Toxicology. 24: 2189-99. PMID 22060045 DOI: 10.1021/Tx2003239 |
0.631 |
|
| 2011 |
Wu M, Xu Q, Strid A, Martell JM, Eriksson LA. Theoretical study of pyridoxine (vitamin B6) photolysis. The Journal of Physical Chemistry. A. 115: 13556-63. PMID 21995706 DOI: 10.1021/Jp205724K |
0.603 |
|
| 2011 |
Tian BX, Eriksson LA. Catalytic mechanism and roles of Arg197 and Thr183 in the Staphylococcus aureus sortase A enzyme. The Journal of Physical Chemistry. B. 115: 13003-11. PMID 21950672 DOI: 10.1021/Jp2058113 |
0.343 |
|
| 2011 |
Gao L, Tu Y, Wegman P, Wingren S, Eriksson LA. A mechanistic hypothesis for the cytochrome P450-catalyzed cis-trans isomerization of 4-hydroxytamoxifen: an unusual redox reaction. Journal of Chemical Information and Modeling. 51: 2293-301. PMID 21870861 DOI: 10.1021/Ci2001082 |
0.319 |
|
| 2011 |
Yang Zb, Eriksson LA, Zhang Rb. A theoretical rationale for why azetidine has a faster rate of formation than oxetane in TC(6-4) photoproducts. The Journal of Physical Chemistry. B. 115: 9681-6. PMID 21682331 DOI: 10.1021/Jp204506V |
0.369 |
|
| 2011 |
Tian B, Strid Å, Eriksson LA. Catalytic roles of active-site residues in 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase: an ONIOM/DFT study. The Journal of Physical Chemistry. B. 115: 1918-26. PMID 21291225 DOI: 10.1021/Jp111525P |
0.373 |
|
| 2011 |
Wu M, Eriksson LA. Absorption spectra of riboflavin--a difficult case for computational chemistry. The Journal of Physical Chemistry. A. 114: 10234-42. PMID 20718485 DOI: 10.1021/Jp104127R |
0.345 |
|
| 2010 |
Erdtman E, Bushnell EA, Gauld JW, Eriksson LA. Computational insights into the mechanism of porphobilinogen synthase. The Journal of Physical Chemistry. B. 114: 16860-70. PMID 21090799 DOI: 10.1021/Jp103590D |
0.347 |
|
| 2010 |
Wang R, Zhang RB, Eriksson LA. The fate of H atom adducts to 3'-uridine monophosphate. The Journal of Physical Chemistry. B. 114: 9617-21. PMID 20590082 DOI: 10.1021/Jp100116W |
0.381 |
|
| 2010 |
Labet V, Morell C, Douki T, Cadet J, Eriksson LA, Grand A. Hydrolytic deamination of 5,6-dihydrocytosine in a protic medium: a theoretical study. The Journal of Physical Chemistry. A. 114: 1826-34. PMID 20055498 DOI: 10.1021/Jp9049044 |
0.38 |
|
| 2009 |
Musa KA, Eriksson LA. Theoretical assessment of norfloxacin redox and photochemistry. The Journal of Physical Chemistry. A. 113: 10803-10. PMID 19746947 DOI: 10.1021/Jp904671S |
0.385 |
|
| 2009 |
Musa KA, Eriksson LA. Photodegradation mechanism of nonsteroidal anti-inflammatory drugs containing thiophene moieties: suprofen and tiaprofenic acid. The Journal of Physical Chemistry. B. 113: 11306-13. PMID 19719267 DOI: 10.1021/Jp904171P |
0.312 |
|
| 2009 |
Matxain JM, Padro D, Ristilä M, Strid A, Eriksson LA. Evidence of high *OH radical quenching efficiency by vitamin B6. The Journal of Physical Chemistry. B. 113: 9629-32. PMID 19558175 DOI: 10.1021/Jp903023C |
0.368 |
|
| 2009 |
Schyman P, Eriksson LA, Laaksonen A. Hydrogen abstraction from deoxyribose by a neighboring 3'-uracil peroxyl radical. The Journal of Physical Chemistry. B. 113: 6574-8. PMID 19402732 DOI: 10.1021/Jp9007569 |
0.424 |
|
| 2009 |
Labet V, Morell C, Cadet J, Eriksson LA, Grand A. Hydrolytic deamination of 5-methylcytosine in protic medium--a theoretical study. The Journal of Physical Chemistry. A. 113: 2524-33. PMID 19220027 DOI: 10.1021/Jp808902J |
0.361 |
|
| 2008 |
Musa KA, Eriksson LA. Theoretical study of the phototoxicity of naproxen and the active form of nabumetone. The Journal of Physical Chemistry. A. 112: 10921-30. PMID 18834087 DOI: 10.1021/Jp805614Y |
0.356 |
|
| 2008 |
Labet V, Grand A, Cadet J, Eriksson LA. Deamination of the radical cation of the base moiety of 2'-deoxycytidine: a theoretical study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 9: 1195-203. PMID 18438773 DOI: 10.1002/Cphc.200800154 |
0.302 |
|
| 2008 |
Erdtman E, Eriksson LA. Theoretical study of 5-aminolevulinic acid tautomerization: a novel self-catalyzed mechanism. The Journal of Physical Chemistry. A. 112: 4367-74. PMID 18416542 DOI: 10.1021/Jp7118197 |
0.327 |
|
| 2008 |
Russo N, Ramos MJ, Ugalde JM, Eriksson LA. Introduction International Journal of Quantum Chemistry. 108: 1873-1873. DOI: 10.1002/Qua.21776 |
0.452 |
|
| 2007 |
Musa KAK, Eriksson LA. Theoretical study of ibuprofen phototoxicity. Journal of Physical Chemistry B. 111: 13345-13352. PMID 17958415 DOI: 10.1021/Jp076553E |
0.386 |
|
| 2007 |
Sebastian ES, Matxain JM, Eriksson LA, Stote RH, Dejaegere A, Cossio FP, Lopez X. Metal ion dependent adhesion sites in integrins: a combined DFT and QMC study on Mn2+. The Journal of Physical Chemistry. B. 111: 9099-103. PMID 17608410 DOI: 10.1021/Jp071065S |
0.362 |
|
| 2007 |
Zhang RB, Eriksson LA. Effects of OH radical addition on proton transfer in the guanine-cytosine base pair. Journal of Physical Chemistry B. 111: 6571-6576. PMID 17506547 DOI: 10.1021/Jp071772L |
0.384 |
|
| 2007 |
Tejero I, Gonzalez-Lafont A, Lluch JM, Eriksson LA. Theoretical modeling of hydroxyl-radical-induced lipid peroxidation reactions. Journal of Physical Chemistry B. 111: 5684-5693. PMID 17472362 DOI: 10.1021/Jp0650782 |
0.374 |
|
| 2007 |
Musa KAK, Matxain JM, Eriksson LA. Mechanism of photoinduced decomposition of ketoprofen. Journal of Medicinal Chemistry. 50: 1735-1743. PMID 17373778 DOI: 10.1021/Jm060697K |
0.35 |
|
| 2007 |
Matxain JM, Eriksson LA, Mercero JM, Lopez X, Piris M, Ugalde JM, Poater J, Matito E, Solà M. New Solids Based on B12N12Fullerenes The Journal of Physical Chemistry C. 111: 13354-13360. DOI: 10.1021/Jp073773J |
0.528 |
|
| 2007 |
Matxain JM, Eriksson LA, Formoso E, Piris M, Ugalde JM. Endohedral (X@ZniSi)i=4-160,± Nanoclusters, X = Li, Na, K, Cl, Br The Journal of Physical Chemistry C. 111: 3560-3565. DOI: 10.1021/Jp0668697 |
0.498 |
|
| 2006 |
Matxain JM, Eriksson LA, Mercero JM, Ugalde JM, Spano E, Hamad S, Catlow CR. Electronic excitation energies of Zn(i)S(i) nanoparticles. Nanotechnology. 17: 4100-5. PMID 21727544 DOI: 10.1088/0957-4484/17/16/018 |
0.454 |
|
| 2006 |
Matxain JM, Ristilä M, Strid aÅ, Eriksson LA. Theoretical study of the antioxidant properties of pyridoxine. Journal of Physical Chemistry A. 110: 13068-13072. PMID 17134167 DOI: 10.1021/Jp065115P |
0.398 |
|
| 2006 |
Zhang RB, Eriksson LA. The role of nucleobase carboradical and carbanion on DNA lesions: a theoretical study. Journal of Physical Chemistry B. 110: 23583-23589. PMID 17107214 DOI: 10.1021/Jp063605B |
0.421 |
|
| 2006 |
Ristilä M, Matxain JM, Strid aÅ, Eriksson LA. pH-Dependent electronic and spectroscopic properties of pyridoxine (Vitamin B6). Journal of Physical Chemistry B. 110: 16774-16780. PMID 16913817 DOI: 10.1021/Jp062800N |
0.303 |
|
| 2006 |
Mercero JM, Formoso E, Matxain JM, Eriksson LA, Ugalde JM. Sandwich complexes based on the "all-metal" Al4 2- aromatic ring. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 4495-502. PMID 16683278 DOI: 10.1002/CHIN.200636001 |
0.45 |
|
| 2006 |
Zhang RB, Eriksson LA. A triplet mechanism for the formation of cyclobutane pyrimidine dimers in UV-irradiated DNA. Journal of Physical Chemistry B. 110: 7556-7562. PMID 16599537 DOI: 10.1021/Jp060196A |
0.365 |
|
| 2005 |
Zhu C, Raber J, Eriksson LA. Hydrolysis process of the second generation platinum-based anticancer drug cis-amminedichlorocyclohexylamineplatinum(II). The Journal of Physical Chemistry. B. 109: 12195-205. PMID 16852504 DOI: 10.1021/Jp0518916 |
0.329 |
|
| 2005 |
Raber J, Zhu C, Eriksson LA. Theoretical study of cisplatin binding to DNA: the importance of initial complex stabilization. The Journal of Physical Chemistry. B. 109: 11006-15. PMID 16852341 DOI: 10.1021/Jp050057D |
0.379 |
|
| 2005 |
Durbeej B, Eriksson LA. Photodegradation of substituted stilbene compounds: what colors aging paper yellow? Journal of Physical Chemistry A. 109: 5677-5682. PMID 16833900 DOI: 10.1021/Jp050873L |
0.367 |
|
| 2005 |
Li XY, Eriksson LA. Molecular dynamics study of lignin constituents in water Holzforschung. 59: 253-262. DOI: 10.1515/Hf.2005.042 |
0.319 |
|
| 2005 |
Mercero JM, Matxain JM, Lopez X, York DM, Largo A, Eriksson LA, Ugalde JM. Theoretical methods that help understanding the structure and reactivity of gas phase ions International Journal of Mass Spectrometry. 240: 37-99. DOI: 10.1016/J.Ijms.2004.09.018 |
0.539 |
|
| 2004 |
Tejero I, Eriksson LA, Gonzalez-Lafont A, Marquet J, Lluch JM. Hydrogen Abstraction by Soybean Lipoxygenase-1. Density Functional Theory Study on Active Site Models in Terms of Gibbs Free Energies Journal of Physical Chemistry B. 108: 13831-13838. DOI: 10.1021/Jp040114N |
0.374 |
|
| 2004 |
Lipfert J, Llano J, Eriksson LA. Radiation-induced damage in serine phosphate - Insights into a mechanism for direct DNA strand breakage Journal of Physical Chemistry B. 108: 8036-8042. DOI: 10.1021/Jp037499E |
0.309 |
|
| 2003 |
Durbeej B, Eriksson LA. Formation of β-O-4 lignin models – a theoretical study Holzforschung. 57: 466-478. DOI: 10.1515/Hf.2003.070 |
0.312 |
|
| 2003 |
Durbeej B, Eriksson LA. A density functional theory study of coniferyl alcohol intermonomeric cross linkages in lignin – three-dimensional structures, stabilities and the thermodynamic control hypothesis Holzforschung. 57: 150-164. DOI: 10.1515/Hf.2003.024 |
0.302 |
|
| 2003 |
Durbeej B, Eriksson LA. Spin distribution in dehydrogenated coniferyl alcohol and associated dilignol radicals Holzforschung. 57: 59-61. DOI: 10.1515/Hf.2003.009 |
0.342 |
|
| 2003 |
Lucas MDF, Fernandes PA, Eriksson LA, Ramos MJ. Pyruvate formate lyase: A new perspective Journal of Physical Chemistry B. 107: 5751-5757. DOI: 10.1021/Jp0223096 |
0.412 |
|
| 2002 |
Ban F, Lundqvist MJ, Boyd RJ, Eriksson LA. Theoretical studies of the cross-linking mechanisms between cytosine and tyrosine. Journal of the American Chemical Society. 124: 2753-61. PMID 11890827 DOI: 10.1021/Ja011528M |
0.699 |
|
| 2002 |
Llano J, Eriksson LA. First principles electrochemistry: Electrons and protons reacting as independent ions Journal of Chemical Physics. 117: 10193-10206. DOI: 10.1063/1.1516786 |
0.334 |
|
| 2001 |
Nilsson JA, Lyubartsev A, Eriksson LA, Laaksonen A. Molecular dynamics simulations of ubiquinone; a survey over torsional potentials and hydrogen bonds Molecular Physics. 99: 1795-1804. DOI: 10.1080/00268970110072403 |
0.344 |
|
| 2001 |
Nilsson JA, Eriksson LA, Laaksonen A. Molecular dynamics simulations of plastoquinone in solution Molecular Physics. 99: 247-253. DOI: 10.1080/00268970010010204 |
0.329 |
|
| 2000 |
Lundqvist aMJ, Eriksson LA. Hydroxyl Radical Reactions with Phenol as a Model for Generation of Biologically Reactive Tyrosyl Radicals Journal of Physical Chemistry B. 104: 848-855. DOI: 10.1021/Jp993011R |
0.471 |
|
| 2000 |
Close DM, Eriksson LA, Hole EO, Sagstuen aE, Nelson WH. Experimental and Theoretical Investigation of the Mechanism of Radiation-Induced Radical Formation in Hydrogen-Bonded Cocrystals of 1-Methylcytosine and 5-Fluorouracil Journal of Physical Chemistry B. 104: 9343-9350. DOI: 10.1021/Jp0018246 |
0.391 |
|
| 2000 |
Lassmann G, Eriksson LA, Lendzian F, Lubitz W. Structure of a Transient Neutral Histidine Radical in Solution: EPR Continuous-Flow Studies in a Ti3+/EDTA−Fenton System and Density Functional Calculations Journal of Physical Chemistry A. 104: 9144-9152. DOI: 10.1021/Jp001437W |
0.318 |
|
| 2000 |
Himo F, Eriksson LA, Maseras F, Siegbahn PEM. Catalytic mechanism of galactose oxidase: A theoretical study Journal of the American Chemical Society. 122: 8031-8036. DOI: 10.1021/Ja994527R |
0.367 |
|
| 2000 |
Gauld JW, Eriksson LA. Oxidative degradation of pyruvate formate-lyase Journal of the American Chemical Society. 122: 2035-2040. DOI: 10.1021/Ja992862+ |
0.368 |
|
| 2000 |
Durbeej B, Eriksson LA. Thermodynamics of the Photoenzymic Repair Mechanism Studied by Density Functional Theory Journal of the American Chemical Society. 122: 10126-10132. DOI: 10.1021/Ja000929J |
0.437 |
|
| 1999 |
Wetmore SD, Boyd RJ, Eriksson LA, Laaksonen A. A combined quantum mechanics and molecular dynamics study of small Jahn-Teller distorted hydrocarbons: Another difficult test for density-functional theory Journal of Chemical Physics. 110: 12059-12069. DOI: 10.1063/1.479141 |
0.536 |
|
| 1999 |
Llano J, Eriksson LA. Mechanism of Hydroxyl Radical Addition to Imidazole and Subsequent Water Elimination Journal of Physical Chemistry B. 103: 5598-5607. DOI: 10.1021/Jp9902957 |
0.421 |
|
| 1999 |
Wetmore SD, Boyd RJ, Himo F, Eriksson LA. Reply to “Comment on Effects of Ionizing Radiation on Crystalline Cytosine Monohydrate” The Journal of Physical Chemistry B. 103: 3051-3052. DOI: 10.1021/Jp9848389 |
0.563 |
|
| 1999 |
Lassmann G, Eriksson LA, Himo F, Lendzian F, Lubitz W. Electronic Structure of a Transient Histidine Radical in Liquid Aqueous Solution: EPR Continuous-Flow Studies and Density Functional Calculations The Journal of Physical Chemistry A. 103: 1283-1290. DOI: 10.1021/Jp9843454 |
0.327 |
|
| 1999 |
Himo F, Babcock GT, Eriksson LA. Conformational analysis of quinone anion radicals in photosystem II and photosynthetic bacteria Journal of Physical Chemistry A. 103: 3745-3749. DOI: 10.1021/Jp984137B |
0.399 |
|
| 1998 |
Eriksson LA, Jansson CM, Arnold DR, Boyd RJ. Cleavage of neutral alkenes and alkene radical cations; hybrid Hartree- Fock/density functional theory results Canadian Journal of Chemistry. 76: 1817-1826. DOI: 10.1139/Cjc-76-12-1817 |
0.617 |
|
| 1998 |
Wetmore SD, Eriksson LA, Boyd RJ. The calculation of accurate 17O hyperfine coupling constants in the hydroxyl radical: A difficult problem for current quantum chemical methods Journal of Chemical Physics. 109: 9451-9462. DOI: 10.1063/1.477607 |
0.57 |
|
| 1998 |
Fängström T, Kirrander A, Eriksson LA, Lunell S. The reaction between aluminium and dimethyl ether Comparative study of density functional theory and EPR results Journal of the Chemical Society, Faraday Transactions. 94: 777-782. DOI: 10.1039/A706667H |
0.634 |
|
| 1998 |
Himo F, Eriksson LA. On the local structure of the glycyl radical in different enzymes Journal of the Chemical Society-Perkin Transactions 1. 305-308. DOI: 10.1039/A706138B |
0.395 |
|
| 1998 |
Siegbahn PEM, Eriksson L, Himo F, Pavlov M. Hydrogen Atom Transfer in Ribonucleotide Reductase (RNR) The Journal of Physical Chemistry B. 102: 10622-10629. DOI: 10.1021/Jp9827835 |
0.351 |
|
| 1998 |
Wetmore SD, Boyd RJ, Eriksson LA. A comprehensive study of sugar radicals in irradiated DNA Journal of Physical Chemistry B. 102: 7674-7686. DOI: 10.1021/Jp9824407 |
0.597 |
|
| 1998 |
Wetmore SD, Boyd RJ, Eriksson LA. Comparison of experimental and calculated hyperfine coupling constants. Which radicals are formed in irradiated guanine? Journal of Physical Chemistry B. 102: 9332-9343. DOI: 10.1021/Jp982437N |
0.59 |
|
| 1998 |
Wetmore SD, Boyd RJ, Eriksson LA. Theoretical investigation of adenine radicals generated in irradiated DNA components Journal of Physical Chemistry B. 102: 10602-10614. DOI: 10.1021/Jp982417L |
0.595 |
|
| 1998 |
Wetmore SD, Himo F, Boyd RJ, Eriksson LA. Effects of ionizing radiation on crystalline cytosine monohydrate Journal of Physical Chemistry B. 102: 7484-7491. DOI: 10.1021/Jp981691C |
0.578 |
|
| 1998 |
Wetmore SD, Boyd RJ, Eriksson LA. Radiation products of thymine, 1-methylthymine, and uracil investigated by density functional theory Journal of Physical Chemistry B. 102: 5369-5377. DOI: 10.1021/Jp9809078 |
0.57 |
|
| 1998 |
Fängström T, Lunell S, Kasai PH, Eriksson LA. Theoretical Study of the Insertion Reactions of Aluminum with H2O, NH3, HCl, and Cl2 Journal of Physical Chemistry A. 102: 1005-1017. DOI: 10.1021/Jp972859H |
0.62 |
|
| 1998 |
Himo F, Eriksson LA. Catalytic Mechanism of Pyruvate Formate-Lyase (PFL). A Theoretical Study Journal of the American Chemical Society. 120: 11449-11455. DOI: 10.1021/Ja9820947 |
0.309 |
|
| 1998 |
Eriksson LA. Sulfinylimine Radical in Azido-CDP- and Azido-UDP-Inhibited Ribonucleotide Reductase Journal of the American Chemical Society. 120: 8051-8054. DOI: 10.1021/Ja973745M |
0.442 |
|
| 1997 |
Salhi-Benachenhou N, Eriksson LA, Lunell S. Density functional study of the hexamethyl-(Dewar benzene) radical cation and some related compounds Acta Chemica Scandinavica. 51: 636-640. DOI: 10.3891/Acta.Chem.Scand.51-0636 |
0.644 |
|
| 1997 |
Martell JM, Eriksson LA, Goddard JD, Bech M, Mellikov E, Niinistö L, Styring S, Tommos C, Warncke K, Wood BR. A Density Functional Study of the Hyperfine Properties of Sulfur-Containing Radicals and Radical Ions. Acta Chemica Scandinavica. 51: 229-232. DOI: 10.3891/Acta.Chem.Scand.51-0229 |
0.59 |
|
| 1997 |
Eriksson LA. Evaluation of the performance of non-local and hybrid density functional theory methods for pi-radical hyperfine structures Molecular Physics. 91: 827-834. DOI: 10.1080/002689797170932 |
0.436 |
|
| 1997 |
Fängström T, Lunell S, Engels B, Eriksson LA, Shiotani M, Komaguchi K. Structure and dynamics of the silacyclobutane radical cation, studied by ab initio and density functional theory and electron spin resonance spectroscopy The Journal of Chemical Physics. 107: 297-306. DOI: 10.1063/1.474441 |
0.632 |
|
| 1997 |
Wetmore SD, Boyd RJ, Eriksson LA. Density functional theory investigation of hyperfine coupling constants in peroxyl radicals Journal of Chemical Physics. 106: 7738-7748. DOI: 10.1063/1.473774 |
0.572 |
|
| 1997 |
Eriksson LA, Himo F, Siegbahn PEM, Babcock GT. Electronic and magnetic properties of neutral and charged quinone and plastoquinone radicals Journal of Physical Chemistry A. 101: 9496-9504. DOI: 10.1021/Jp9720451 |
0.401 |
|
| 1997 |
and FH, Eriksson LA. Theoretical Study of Model Tryptophan Radicals and Radical Cations: Comparison with Experimental Data of DNA Photolyase, Cytochrome c Peroxidase, and Ribonucleotide Reductase Journal of Physical Chemistry B. 101: 9811-9819. DOI: 10.1021/Jp971041T |
0.439 |
|
| 1997 |
Fängström T, Eriksson LA, Lunell S. Theoretical Investigation of the Reaction between Aluminum and Propene. Comparison between Calculated and Experimental ESR Results Journal of Physical Chemistry A. 101: 4814-4820. DOI: 10.1021/Jp970552C |
0.629 |
|
| 1997 |
Martell JM, Goddard JD, Eriksson LA. Assessment of basis set and functional dependencies in density functional theory: Studies of atomization and reaction energies Journal of Physical Chemistry A. 101: 1927-1934. DOI: 10.1021/Jp962783+ |
0.391 |
|
| 1997 |
Gauld JW, Eriksson LA, Radom L. Assessment of procedures for calculating radical hyperfine structures Journal of Physical Chemistry A. 101: 1352-1359. DOI: 10.1021/Jp961328A |
0.369 |
|
| 1996 |
Eriksson LA, Laaksonen A. Hybrid DFT‐MD simulations of geometry and hyperfine structure of the CCH radical in argon matrices at low temperatures Journal of Chemical Physics. 105: 8195-8203. DOI: 10.1063/1.472673 |
0.347 |
|
| 1996 |
Wang J, Eriksson LA, Johnson BG, Boyd RJ. Electron densities of homonuclear diatomic molecules as calculated from density functional theory Journal of Physical Chemistry. 100: 5274-5280. DOI: 10.1021/Jp951023G |
0.563 |
|
| 1995 |
Wang J, Laaksonen A, Eriksson LA, Boyd RJ. Internal motion and the tunneling rates of CH+4 and CD+4 The Journal of Chemical Physics. 103: 8166-8173. DOI: 10.1063/1.470180 |
0.49 |
|
| 1995 |
Eriksson LA. Accurate density functional theory study of cationic magnesium clusters and Mg+–rare gas interactions Journal of Chemical Physics. 103: 1050-1056. DOI: 10.1063/1.469815 |
0.347 |
|
| 1995 |
Eriksson LA, Pettersson LGM, Siegbahn PEM, Wahlgren U. On the accuracy of gradient corrected density functional methods for transition metal complexes Journal of Chemical Physics. 102: 872-878. DOI: 10.1063/1.469202 |
0.384 |
|
| 1995 |
Kong J, Boyd RJ, Eriksson LA. Re-examination of the hyperfine structure of 14NH2 The Journal of Chemical Physics. 102: 3674-3678. DOI: 10.1063/1.468597 |
0.535 |
|
| 1995 |
Martell JM, Boyd RJ, Eriksson LA. Hyperfine structures of the series C2HnF5-n, n = 0-5: A density functional theory study Journal of Physical Chemistry. 99: 623-629. DOI: 10.1021/J100002A027 |
0.645 |
|
| 1995 |
Malkin VG, Malkina OL, Eriksson LA, Salahub DR. The calculation of NMR and ESR spectroscopy parameters using density functional theory Theoretical and Computational Chemistry. 2: 273-347. DOI: 10.1016/S1380-7323(05)80039-1 |
0.349 |
|
| 1994 |
Austen MA, Eriksson LA, Boyd RJ. A density functional theory study of the free radicals NH2, NF2, NCl2, PH2, PF2, and PCl2 Canadian Journal of Chemistry. 72: 695-704. DOI: 10.1139/V94-094 |
0.578 |
|
| 1994 |
Eriksson LA, Malkina OL, Malkin VG, Salahub DR. The hyperfine structures of small radicals from density functional calculations The Journal of Chemical Physics. 100: 5066-5075. DOI: 10.1063/1.467223 |
0.46 |
|
| 1994 |
Wang J, Eriksson LA, Boyd RJ, Shi Z, Johnson BG. Diazasilene (SiNN): a comparative study of electron density distributions derived from Hartree-Fock, second-order Moller-Plesset perturbation theory, and density functional methods The Journal of Physical Chemistry. 98: 1844-1850. DOI: 10.1021/J100058A021 |
0.557 |
|
| 1994 |
Eriksson LA, Wang J, Boyd RJ, Lunell S. A comparative study of the hyperfine structures of neutral nitrogen oxides: DFT vs CISD results The Journal of Physical Chemistry. 98: 792-799. DOI: 10.1021/J100054A014 |
0.693 |
|
| 1993 |
Eriksson LA, Malkin VG, Malkina OL, Salahub DR. Density functional calculations of isotropic hyperfine coupling constants of radical cations The Journal of Chemical Physics. 99: 9756-9763. DOI: 10.1063/1.465457 |
0.443 |
|
| 1993 |
Eriksson LA, Lunell S, Boyd RJ. Electronic structure calculations of hydrocarbon radical cations: a density functional study Journal of the American Chemical Society. 115: 6896-6900. DOI: 10.1021/Ja00068A055 |
0.705 |
|
| 1993 |
Eriksson LA, Sjoeqvist L, Lunell S, Shiotani M, Usui M, Lund A. Effects of ionization in linear alkenes : a study of the radical cations of 1- and 2-pentene Journal of the American Chemical Society. 115: 3244-3249. DOI: 10.1021/Ja00061A024 |
0.63 |
|
| 1993 |
Alvarez-Idaboy JR, Eriksson LA, Lunell S. Theoretical study of reactions of the 1-butene radical cation in frozen halocarbon matrixes The Journal of Physical Chemistry. 97: 12742-12744. DOI: 10.1021/J100151A019 |
0.61 |
|
| 1993 |
Eriksson LA, Lunell S. Theoretical study of deuterated ethane radical cations The Journal of Physical Chemistry. 97: 12215-12219. DOI: 10.1021/J100149A020 |
0.631 |
|
| 1993 |
Eriksson LA, Lopez X, Boyd RJ. On the choice of the active space and the basis set for MCSCF calculations on small molecules and reactive surfaces The Journal of Physical Chemistry. 97: 11969-11973. DOI: 10.1021/J100148A021 |
0.543 |
|
| 1992 |
Eriksson LA, Lunell S. Ab initio study of vibrationally preferred deuteration sites in the cyclopropane-d2 radical cation Journal of the American Chemical Society. 114: 4532-4535. DOI: 10.1021/Ja00038A013 |
0.621 |
|
| 1991 |
Sjöqvist L, Lund A, Eriksson LA, Lunell S, Shiotani M. Structure of the azetidine radical cation and the neutral azetidin-1-yl radical. An ab initio and electron paramagnetic resonance study Journal of the Chemical Society, Faraday Transactions. 87: 1083-1088. DOI: 10.1039/Ft9918701083 |
0.643 |
|
| 1990 |
Eriksson LA, Lunell S. Theoretical study of the hex-3-ene radical cation Journal of the Chemical Society, Faraday Transactions. 86: 3287-3292. DOI: 10.1039/Ft9908603287 |
0.643 |
|
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