Juan Peralta

Juan Peralta

UNVERIFIED PROFILE

Are you Juan Peralta?   Register this Author

Register author
Juan Peralta

Juan Peralta

Publications by authors named "Juan Peralta"

Are you Juan Peralta?   Register this Author

96Publications

2077Reads

22Profile Views

Interpretation and Automatic Generation of Fermi-Orbital Descriptors.

J Comput Chem 2019 Dec 10;40(32):2843-2857. Epub 2019 Sep 10.

TU Freiberg, Institute of Theoretical Physics, Leipziger Str. 23, D-09599, Freiberg, Germany.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1002/jcc.26062DOI Listing
December 2019

The effect of self-interaction error on electrostatic dipoles calculated using density functional theory.

J Chem Phys 2019 Nov;151(17):174106

Physics Department and Science of Advanced Materials Program, Central Michigan University, Mt. Pleasant, Michigan 48859, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1063/1.5125205DOI Listing
November 2019

Association of Copy Number Variation of the 15q11.2 BP1-BP2 Region With Cortical and Subcortical Morphology and Cognition.

Authors:
Dennis van der Meer Ida E Sønderby Tobias Kaufmann G Bragi Walters Abdel Abdellaoui David Ames Katrin Amunts Micael Andersson Nicola J Armstrong Manon Bernard Nicholas B Blackburn John Blangero Dorret I Boomsma Henry Brodaty Rachel M Brouwer Robin Bülow Wiepke Cahn Vince D Calhoun Svenja Caspers Gianpiero L Cavalleri Christopher R K Ching Sven Cichon Simone Ciufolini Aiden Corvin Benedicto Crespo-Facorro Joanne E Curran Shareefa Dalvie Paola Dazzan Eco J C de Geus Greig I de Zubicaray Sonja M C de Zwarte Norman Delanty Anouk den Braber Sylvane Desrivieres Marta Di Forti Joanne L Doherty Gary Donohoe Stefan Ehrlich Else Eising Thomas Espeseth Simon E Fisher Tormod Fladby Oleksandr Frei Vincent Frouin Masaki Fukunaga Thomas Gareau David C Glahn Hans J Grabe Nynke A Groenewold Ómar Gústafsson Jan Haavik Asta K Haberg Ryota Hashimoto Jayne Y Hehir-Kwa Derrek P Hibar Manon H J Hillegers Per Hoffmann Laurena Holleran Jouke-Jan Hottenga Hilleke E Hulshoff Pol Masashi Ikeda Sébastien Jacquemont Neda Jahanshad Christiane Jockwitz Stefan Johansson Erik G Jönsson Masataka Kikuchi Emma E M Knowles John B Kwok Stephanie Le Hellard David E J Linden Jingyu Liu Arvid Lundervold Astri J Lundervold Nicholas G Martin Karen A Mather Samuel R Mathias Katie L McMahon Allan F McRae Sarah E Medland Torgeir Moberget Clara Moreau Derek W Morris Thomas W Mühleisen Robin M Murray Jan E Nordvik Lars Nyberg Loes M Olde Loohuis Roel A Ophoff Michael J Owen Tomas Paus Zdenka Pausova Juan M Peralta Bruce Pike Carlos Prieto Erin Burke Quinlan Céline S Reinbold Tiago Reis Marques James J H Rucker Perminder S Sachdev Sigrid B Sando Peter R Schofield Andrew J Schork Gunter Schumann Jean Shin Elena Shumskaya Ana I Silva Sanjay M Sisodiya Vidar M Steen Dan J Stein Lachlan T Strike Christian K Tamnes Alexander Teumer Anbupalam Thalamuthu Diana Tordesillas-Gutiérrez Anne Uhlmann Magnús Ö Úlfarsson Dennis van 't Ent Marianne B M van den Bree Evangelos Vassos Wei Wen Katharina Wittfeld Margaret J Wright Tetyana Zayats Anders M Dale Srdjan Djurovic Ingrid Agartz Lars T Westlye Hreinn Stefánsson Kári Stefánsson Paul M Thompson Ole A Andreassen

JAMA Psychiatry 2019 Oct 30:1-11. Epub 2019 Oct 30.

Norwegian Centre for Mental Disorders Research, Division of Mental Health and Addiction, Oslo University Hospital and Institute of Clinical Medicine, University of Oslo, Oslo, Norway.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1001/jamapsychiatry.2019.3779DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6822096PMC
October 2019

Whole-exome sequencing in multiplex preeclampsia families identifies novel candidate susceptibility genes.

J Hypertens 2019 May;37(5):997-1011

The Curtin/UWA Centre for Genetic Origins of Health and Disease, School of Pharmacy and Biomedical Sciences, Faculty of Health Sciences, Curtin University.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1097/HJH.0000000000002023DOI Listing
May 2019

Comment on "Additional Insights Between Fermi-Löwdin Orbital SIC and the Localization Equation Constraints in SIC-DFT".

J Phys Chem A 2019 05 6;123(19):4322-4323. Epub 2019 May 6.

Department of Physics and Science of Advanced Materials Program , Central Michigan University , Mount Pleasant , Michigan 48859 , United States.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/acs.jpca.9b02516DOI Listing
May 2019

Rediscovering the value of families for psychiatric genetics research.

Mol Psychiatry 2019 04 28;24(4):523-535. Epub 2018 Jun 28.

South Texas Diabetes and Obesity Institute, Department of Human Genetics, School of Medicine, University of Texas of the Rio Grande Valley, Brownsville, TX, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1038/s41380-018-0073-xDOI Listing
April 2019

Glycated Serum Protein Genetics and Pleiotropy with Cardiometabolic Risk Factors.

J Diabetes Res 2019 4;2019:2310235. Epub 2019 Apr 4.

South Texas Diabetes and Obesity Institute, School of Medicine, University of Texas Rio Grande Valley, Brownsville, Texas 78520, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1155/2019/2310235DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6476113PMC
April 2019

Analytic atomic gradients in the fermi-löwdin orbital self-interaction correction.

J Comput Chem 2019 Mar 27;40(6):820-825. Epub 2018 Dec 27.

Department of Physics, Science of Advanced Materials Program, Central Michigan University, Mount Pleasant, Michigan, 48859.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1002/jcc.25767DOI Listing
March 2019

Magnetic Properties of Co(II) Complexes with Polyhedral Carborane Ligands.

Inorg Chem 2019 Feb 29;58(4):2550-2557. Epub 2019 Jan 29.

Department of Physics , Central Michigan University , Mount Pleasant , Michigan 48859 , United States.

View Article

Download full-text PDF

Source
http://pubs.acs.org/doi/10.1021/acs.inorgchem.8b03156
Publisher Site
http://dx.doi.org/10.1021/acs.inorgchem.8b03156DOI Listing
February 2019

Correction: Dose response of the 16p11.2 distal copy number variant on intracranial volume and basal ganglia.

Authors:
Ida E Sønderby Ómar Gústafsson Nhat Trung Doan Derrek P Hibar Sandra Martin-Brevet Abdel Abdellaoui David Ames Katrin Amunts Michael Andersson Nicola J Armstrong Manon Bernard Nicholas Blackburn John Blangero Dorret I Boomsma Janita Bralten Hans-Richard Brattbak Henry Brodaty Rachel M Brouwer Robin Bülow Vince Calhoun Svenja Caspers Gianpiero Cavalleri Chi-Hua Chen Sven Cichon Simone Ciufolini Aiden Corvin Benedicto Crespo-Facorro Joanne E Curran Anders M Dale Shareefa Dalvie Paola Dazzan Eco J C de Geus Greig I de Zubicaray Sonja M C de Zwarte Norman Delanty Anouk den Braber Sylvane Desrivières Gary Donohoe Bogdan Draganski Stefan Ehrlich Thomas Espeseth Simon E Fisher Barbara Franke Vincent Frouin Masaki Fukunaga Thomas Gareau David C Glahn Hans Grabe Nynke A Groenewold Jan Haavik Asta Håberg Ryota Hashimoto Jayne Y Hehir-Kwa Andreas Heinz Manon H J Hillegers Per Hoffmann Laurena Holleran Jouke-Jan Hottenga Hilleke E Hulshoff Masashi Ikeda Neda Jahanshad Terry Jernigan Christiane Jockwitz Stefan Johansson Gudrun A Jonsdottir Erik G Jönsson Rene Kahn Tobias Kaufmann Sinead Kelly Masataka Kikuchi Emma E M Knowles Knut K Kolskår John B Kwok Stephanie Le Hellard Costin Leu Jingyu Liu Astri J Lundervold Arvid Lundervold Nicholas G Martin Karen Mather Samuel R Mathias Mark McCormack Katie L McMahon Allan McRae Yuri Milaneschi Clara Moreau Derek Morris David Mothersill Thomas W Mühleisen Robin Murray Jan E Nordvik Lars Nyberg Loes M Olde Loohuis Roel Ophoff Tomas Paus Zdenka Pausova Brenda Penninx Juan M Peralta Bruce Pike Carlos Prieto Sara Pudas Erin Quinlan Daniel S Quintana Céline S Reinbold Tiago Reis Marques Alexandre Reymond Genevieve Richard Borja Rodriguez-Herreros Roberto Roiz-Santiañez Jarek Rokicki James Rucker Perminder Sachdev Anne-Marthe Sanders Sigrid B Sando Lianne Schmaal Peter R Schofield Andrew J Schork Gunter Schumann Jean Shin Elena Shumskaya Sanjay Sisodiya Vidar M Steen Dan J Stein Stacy Steinberg Lachlan Strike Alexander Teumer Anbu Thalamuthu Diana Tordesillas-Gutierrez Jessica Turner Torill Ueland Anne Uhlmann Magnus O Ulfarsson Dennis van 't Ent Dennis van der Meer Neeltje E M van Haren Anja Vaskinn Evangelos Vassos G Bragi Walters Yunpeng Wang Wei Wen Christopher D Whelan Katharina Wittfeld Margie Wright Hidenaga Yamamori Tetyana Zayats Ingrid Agartz Lars T Westlye Sébastien Jacquemont Srdjan Djurovic Hreinn Stefánsson Kári Stefánsson Paul Thompson Ole A Andreassen

Mol Psychiatry 2019 Jan 31. Epub 2019 Jan 31.

NORMENT, K.G. Jebsen Centre for Psychosis Research, Institute of Clinical Medicine, University of Oslo and Division of Mental Health and Addiction, Oslo University Hospital, Oslo, Norway.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1038/s41380-019-0358-8DOI Listing
January 2019

Shrinking Self-Interaction Errors with the Fermi-Löwdin Orbital Self-Interaction-Corrected Density Functional Approximation.

J Phys Chem A 2018 Dec 20;122(48):9307-9315. Epub 2018 Nov 20.

Department of Chemical and Petroleum Engineering , University of Pittsburgh , Pittsburgh , Pennsylvania 15261 , United States.

View Article

Download full-text PDF

Source
http://pubs.acs.org/doi/10.1021/acs.jpca.8b09940
Publisher Site
http://dx.doi.org/10.1021/acs.jpca.8b09940DOI Listing
December 2018

Dose response of the 16p11.2 distal copy number variant on intracranial volume and basal ganglia.

Authors:
Ida E Sønderby Ómar Gústafsson Nhat Trung Doan Derrek P Hibar Sandra Martin-Brevet Abdel Abdellaoui David Ames Katrin Amunts Michael Andersson Nicola J Armstrong Manon Bernard Nicholas Blackburn John Blangero Dorret I Boomsma Janita Bralten Hans-Richard Brattbak Henry Brodaty Rachel M Brouwer Robin Bülow Vince Calhoun Svenja Caspers Gianpiero Cavalleri Chi-Hua Chen Sven Cichon Simone Ciufolini Aiden Corvin Benedicto Crespo-Facorro Joanne E Curran Anders M Dale Shareefa Dalvie Paola Dazzan Eco J C de Geus Greig I de Zubicaray Sonja M C de Zwarte Norman Delanty Anouk den Braber Sylvane Desrivières Gary Donohoe Bogdan Draganski Stefan Ehrlich Thomas Espeseth Simon E Fisher Barbara Franke Vincent Frouin Masaki Fukunaga Thomas Gareau David C Glahn Hans Grabe Nynke A Groenewold Jan Haavik Asta Håberg Ryota Hashimoto Jayne Y Hehir-Kwa Andreas Heinz Manon H J Hillegers Per Hoffmann Laurena Holleran Jouke-Jan Hottenga Hilleke E Hulshoff Masashi Ikeda Neda Jahanshad Terry Jernigan Christiane Jockwitz Stefan Johansson Gudrun A Jonsdottir Erik G Jönsson Rene Kahn Tobias Kaufmann Sinead Kelly Masataka Kikuchi Emma E M Knowles Knut K Kolskår John B Kwok Stephanie Le Hellard Costin Leu Jingyu Liu Astri J Lundervold Arvid Lundervold Nicholas G Martin Karen Mather Samuel R Mathias Mark McCormack Katie L McMahon Allan McRae Yuri Milaneschi Clara Moreau Derek Morris David Mothersill Thomas W Mühleisen Robin Murray Jan E Nordvik Lars Nyberg Loes M Olde Loohuis Roel Ophoff Tomas Paus Zdenka Pausova Brenda Penninx Juan M Peralta Bruce Pike Carlos Prieto Sara Pudas Erin Quinlan Daniel S Quintana Céline S Reinbold Tiago Reis Marques Alexandre Reymond Genevieve Richard Borja Rodriguez-Herreros Roberto Roiz-Santiañez Jarek Rokicki James Rucker Perminder Sachdev Anne-Marthe Sanders Sigrid B Sando Lianne Schmaal Peter R Schofield Andrew J Schork Gunter Schumann Jean Shin Elena Shumskaya Sanjay Sisodiya Vidar M Steen Dan J Stein Stacy Steinberg Lachlan Strike Alexander Teumer Anbu Thalamuthu Diana Tordesillas-Gutierrez Jessica Turner Torill Ueland Anne Uhlmann Magnus O Ulfarsson Dennis van 't Ent Dennis van der Meer Neeltje E M van Haren Anja Vaskinn Evangelos Vassos G Bragi Walters Yunpeng Wang Wei Wen Christopher D Whelan Katharina Wittfeld Margie Wright Hidenaga Yamamori Tetyana Zayats Ingrid Agartz Lars T Westlye Sébastien Jacquemont Srdjan Djurovic Hreinn Stefánsson Kári Stefánsson Paul Thompson Ole A Andreassen

Mol Psychiatry 2018 Oct 3. Epub 2018 Oct 3.

NORMENT, K.G. Jebsen Centre for Psychosis Research, Institute of Clinical Medicine, University of Oslo and Division of Mental Health and Addiction, Oslo University Hospital, Oslo, Norway.

View Article

Download full-text PDF

Source
http://www.nature.com/articles/s41380-018-0118-1
Publisher Site
http://dx.doi.org/10.1038/s41380-018-0118-1DOI Listing
October 2018

Fermi-Löwdin orbital self-interaction correction to magnetic exchange couplings.

J Chem Phys 2018 Oct;149(16):164101

Department of Physics, Science of Advanced Materials, Central Michigan University, Mount Pleasant, Michigan 48859, USA.

View Article

Download full-text PDF

Source
http://aip.scitation.org/doi/10.1063/1.5050809
Publisher Site
http://dx.doi.org/10.1063/1.5050809DOI Listing
October 2018

Modeling methylation data as an additional genetic variance component.

BMC Proc 2018 17;12(Suppl 9):29. Epub 2018 Sep 17.

1South Texas Diabetes and Obesity Institute, University of Texas Rio Grande Valley School of Medicine, One West University Blvd., STDOI Modular Building #100, Brownsville, TX 78520 USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1186/s12919-018-0128-7DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6157027PMC
September 2018

Heritability and genetic associations of triglyceride and HDL-C levels using pedigree-based and empirical kinships.

BMC Proc 2018 17;12(Suppl 9):34. Epub 2018 Sep 17.

1South Texas Diabetes and Obesity Institute, Department of Human Genetics, University of Texas Rio Grande Valley School of Medicine, One University Blvd., Modular Building #100, Brownsville, TX 78250 USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1186/s12919-018-0133-xDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6157025PMC
September 2018

Reliability of genomic predictions of complex human phenotypes.

BMC Proc 2018 17;12(Suppl 9):51. Epub 2018 Sep 17.

1South Texas Diabetes and Obesity Institute, University of Texas Rio Grande Valley School of Medicine, One West University Blvd. Modular Building #100, Brownsville, TX 78250 USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1186/s12919-018-0138-5DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6157117PMC
September 2018

Genome-wide linkage scan for loci influencing plasma triglyceride levels.

BMC Proc 2018 17;12(Suppl 9):52. Epub 2018 Sep 17.

2Menzies Institute for Medical Research, University of Tasmania, 17 Liverpool Street, Hobart, TAS 7000 Australia.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1186/s12919-018-0137-6DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6157192PMC
September 2018

On the Question of the Total Energy in the Fermi-Löwdin Orbital Self-Interaction Correction Method.

J Chem Theory Comput 2018 Aug 24;14(8):4122-4128. Epub 2018 Jul 24.

Physics Department and Science of Advanced Materials Ph.D. Program , Central Michigan University , Mount Pleasant , Michigan 48858 , United States.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/acs.jctc.8b00344DOI Listing
August 2018

Magnetic Properties of Mononuclear Co(II) Complexes with Carborane Ligands.

Inorg Chem 2018 Jul 12;57(13):7763-7769. Epub 2018 Jun 12.

Instituto de Química Física "Rocasolano", Consejo Superior de Investigaciones Científicas 28006 , Madrid , Spain.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/acs.inorgchem.8b00815DOI Listing
July 2018

Evaluating the contribution of rare variants to type 2 diabetes and related traits using pedigrees.

Proc Natl Acad Sci U S A 2018 01 26;115(2):379-384. Epub 2017 Dec 26.

South Texas Diabetes and Obesity Institute, University of Texas Rio Grande Valley, Brownsville and Edinburg, TX 78520.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1073/pnas.1705859115DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5777025PMC
January 2018

Local Noncollinear Spin Analysis.

J Chem Theory Comput 2017 Dec 15;13(12):6101-6107. Epub 2017 Nov 15.

Science of Advanced Materials and ‡Department of Physics, Central Michigan University , Mount Pleasant, Michigan 48859, United States.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/acs.jctc.7b01022DOI Listing
December 2017

Bridge to transplant or recovery in cardiogenic shock in a developing country.

Asian Cardiovasc Thorac Ann 2017 Feb 13;25(2):105-112. Epub 2017 Jan 13.

1 Department of Cardiovascular Diseases, Clínica Dávila, Santiago, Chile.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1177/0218492316689177DOI Listing
February 2017

Finding potential cis-regulatory loci using allele-specific chromatin accessibility as weights in a kernel-based variance component test.

BMC Proc 2016 18;10(Suppl 7):103-108. Epub 2016 Oct 18.

South Texas Diabetes and Obesity Institute, University of Texas at the Rio Grande Valley, One West University Blvd., Brownsville, TX 78520 USA ; South Texas Diabetes and Obesity Institute, University of Texas Health Science Center, 7703 Floyd Curl Drive, San Antonio, TX 78229 USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1186/s12919-016-0013-1DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5133489PMC
October 2016

Constrained multivariate association with longitudinal phenotypes.

BMC Proc 2016 18;10(Suppl 7):329-332. Epub 2016 Oct 18.

South Texas Diabetes and Obesity Institute, University of Texas Health Science Center, San Antonio, TX 78229 USA ; Department of Biomedical and Health Informatics, The Children's Hospital of Philadelphia, Philadelphia, PA 19104 USA ; Department of Genetics, Perelman School of Medicine, University of Pennsylvania, Philadelphia, PA 19104 USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1186/s12919-016-0051-8DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5133503PMC
October 2016

Magnetic Exchange Couplings in Heterodinuclear Complexes Based on Differential Local Spin Rotations.

J Chem Theory Comput 2016 Apr 21;12(4):1728-34. Epub 2016 Mar 21.

Department of Physics and Science of Advanced Materials, Central Michigan University , Mount Pleasant, Michigan 48859, United States.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/acs.jctc.6b00112DOI Listing
April 2016

Experimental proof of faster-is-slower in systems of frictional particles flowing through constrictions.

Phys Rev E Stat Nonlin Soft Matter Phys 2015 Dec 15;92(6):062817. Epub 2015 Dec 15.

Departamento de Física, Facultad de Ciencias, Universidad de Navarra, E-31080 Pamplona, Spain.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1103/PhysRevE.92.062817DOI Listing
December 2015

Magnetization Dynamics from Time-Dependent Noncollinear Spin Density Functional Theory Calculations.

J Chem Theory Comput 2015 Aug;11(8):3661-8

Department of Chemical Physics, School of Chemistry, Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University , Tel Aviv 6997801, Israel.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/acs.jctc.5b00494DOI Listing
August 2015

Hexagonal BC3: A Robust Electrode Material for Li, Na, and K Ion Batteries.

J Phys Chem Lett 2015 Jul 29;6(14):2728-32. Epub 2015 Jun 29.

Department of Physics and Science of Advanced Materials, Central Michigan University, Mount Pleasant, Michigan 48859, United States.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/acs.jpclett.5b01110DOI Listing
July 2015

Pedigree-based random effect tests to screen gene pathways.

BMC Proc 2014 17;8(Suppl 1 Genetic Analysis Workshop 18Vanessa Olmo):S100. Epub 2014 Jun 17.

Department of Genetics, Texas Biomedical Research Institute. 7620 NW Loop 410, San Antonio, TX 78245, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1186/1753-6561-8-S1-S100DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4143680PMC
December 2014

A variance component-based gene burden test.

BMC Proc 2014 17;8(Suppl 1 Genetic Analysis Workshop 18Vanessa Olmo):S49. Epub 2014 Jun 17.

Department of Genetics, Texas Biomedical Research Institute, 7620 NW Loop 410, San Antonio, Texas 78227-5301, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1186/1753-6561-8-S1-S49DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4143638PMC
December 2014

Magnetic exchange couplings from noncollinear perturbation theory: dinuclear CuII complexes.

J Phys Chem A 2014 Aug 4;118(31):5841-7. Epub 2014 Mar 4.

Science of Advanced Materials, Central Michigan University , Mt. Pleasant, Michigan 48859, United States.

View Article

Download full-text PDF

Source
http://pubs.acs.org/doi/10.1021/jp411577a
Publisher Site
http://dx.doi.org/10.1021/jp411577aDOI Listing
August 2014

[Not Available].

J Chem Theory Comput 2013 Dec 22;9(12):5585-9. Epub 2013 Nov 22.

Department of Chemistry, University of Florida , Gainesville, Florida 32611-7200, United States.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/ct4007376DOI Listing
December 2013

Towards the blackbox computation of magnetic exchange coupling parameters in polynuclear transition-metal complexes: theory, implementation, and application.

J Chem Phys 2013 May;138(17):174115

Science of Advanced Materials, Central Michigan University, Mt. Pleasant, Michigan 48859, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1063/1.4802776DOI Listing
May 2013

Magnetic Exchange Couplings from Semilocal Functionals Evaluated Nonself-Consistently on Hybrid Densities: Insights on Relative Importance of Exchange, Correlation, and Delocalization.

J Chem Theory Comput 2012 Sep 22;8(9):3147-58. Epub 2012 Aug 22.

Department of Physics, Central Michigan University , Mt. Pleasant, Michigan 48859, United States.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/ct3004904DOI Listing
September 2012

Magnetic exchange couplings from constrained density functional theory: an efficient approach utilizing analytic derivatives.

J Chem Phys 2011 Nov;135(18):184108

Department of Physics, Central Michigan University, Mount Pleasant, Michigan 48859, USA.

View Article

Download full-text PDF

Source
http://aip.scitation.org/doi/10.1063/1.3660351
Publisher Site
http://dx.doi.org/10.1063/1.3660351DOI Listing
November 2011

Genetic Analysis Workshop 17 mini-exome simulation.

BMC Proc 2011 Nov 29;5 Suppl 9:S2. Epub 2011 Nov 29.

Department of Genetics, Texas Biomedical Research Institute, 7620 NW Loop 410, San Antonio, TX 78245, USA.

View Article

Download full-text PDF

Source
http://bmcproc.biomedcentral.com/articles/10.1186/1753-6561-
Publisher Site
http://dx.doi.org/10.1186/1753-6561-5-S9-S2DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3287854PMC
November 2011

Magnetic exchange couplings evaluated with Rung 3.5 density functionals.

J Chem Phys 2011 Jun;134(21):214101

Department of Physics, Central Michigan University, Mt. Pleasant, Michigan 48859, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1063/1.3596070DOI Listing
June 2011

Accurate prediction of the electronic properties of low-dimensional graphene derivatives using a screened hybrid density functional.

Acc Chem Res 2011 Apr 9;44(4):269-79. Epub 2011 Mar 9.

Department of Physics, Central Michigan University, Mt. Pleasant, 48859, United States.

View Article

Download full-text PDF

Source
http://pubs.acs.org/doi/abs/10.1021/ar100137c
Publisher Site
http://dx.doi.org/10.1021/ar100137cDOI Listing
April 2011

The role of range-separated Hartree-Fock exchange in the calculation of magnetic exchange couplings in transition metal complexes.

J Chem Phys 2011 Jan;134(3):034108

Department of Physics, Central Michigan University, Mt. Pleasant, Michigan 48859, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1063/1.3531696DOI Listing
January 2011

Electronic properties of the biphenylene sheet and its one-dimensional derivatives.

ACS Nano 2010 Aug;4(8):4565-70

Department of Physics, Central Michigan University, Mt Pleasant, Michigan 48859, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/nn100758hDOI Listing
August 2010

Magnetic Exchange Couplings with Range-Separated Hybrid Density Functionals.

J Chem Theory Comput 2010 Jun 6;6(6):1894-9. Epub 2010 May 6.

Department of Physics, Central Michigan University, Mt. Pleasant, Michigan 48859, and Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Cdad. Universitaria, Pab. I, 1428 Buenos Aires, Argentina and CONICET.

View Article

Download full-text PDF

Source
http://pubs.acs.org/doi/abs/10.1021/ct100104v
Publisher Site
http://dx.doi.org/10.1021/ct100104vDOI Listing
June 2010

[Four-week Levitronix Centrimag bridge-to-transplant for post myocardial infarction cardiogenic shock. A case report].

Rev Med Chil 2010 Jun;138(6):752-7

Programa de Trasplante Cardiopulmonar y Soporte Cardiorrespiratorio Artificial, Departamento de Enfermedades Cardiovasculares/Respiratorias, Clínica Dávila, Santiago, Chile.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.4067/s0034-98872010000600014DOI Listing
June 2010

Effects on linkage analyses of different Affymetrix expression measures as quantitative trait phenotypes.

BMC Proc 2007 18;1 Suppl 1:S158. Epub 2007 Dec 18.

Centro de Investigación en Biología Celular y Molecular, Universidad de Costa Rica, Ciudad Universitaria Rodrigo Facio, 2060, San José, Costa Rica.

View Article

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2367575PMC
http://dx.doi.org/10.1186/1753-6561-1-s1-s158DOI Listing
December 2009

Searching for master regulators of transcription in a human gene expression data set.

BMC Proc 2007 18;1 Suppl 1:S81. Epub 2007 Dec 18.

Unitat de Bioinformatica i Malalties Complexes, Institut de Recerca de l'Hospital de la Santa Creu i Sant Pau, Barcelona, 08025 Spain.

View Article

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2367599PMC
http://dx.doi.org/10.1186/1753-6561-1-s1-s81DOI Listing
December 2009

Comparison of strategies for identification of regulatory quantitative trait loci of transcript expression traits.

BMC Proc 2007 18;1 Suppl 1:S85. Epub 2007 Dec 18.

Department of Epidemiology, University of North Carolina Chapel Hill, Bank of America Center, 137 East Franklin Street, Suite 306, CB #8050, Chapel Hill, North Carolina 27514, USA.

View Article

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2367462PMC
http://dx.doi.org/10.1186/1753-6561-1-s1-s85DOI Listing
December 2009

Toward the identification of causal genes in complex diseases: a gene-centric joint test of significance combining genomic and transcriptomic data.

BMC Proc 2009 Dec 15;3 Suppl 7:S92. Epub 2009 Dec 15.

Department of Genetics, Southwest Foundation for Biomedical Research, P,O, Box 760549, San Antonio, Texas 78245, USA.

View Article

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2795996PMC
http://dx.doi.org/10.1186/1753-6561-3-s7-s92DOI Listing
December 2009

Magnetic exchange couplings from noncollinear spin density functional perturbation theory.

J Chem Phys 2008 Nov;129(19):194107

Department of Physics, Central Michigan University, Mt. Pleasant, Michigan 48859, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1063/1.3013602DOI Listing
November 2008

A genome screen for quantitative trait loci influencing schizophrenia and neurocognitive phenotypes.

Am J Psychiatry 2008 Sep 15;165(9):1185-92. Epub 2008 Jul 15.

Department of Genetics, Southwest Foundation for Biomedical Research, P.O. Box 760549, San Antonio, TX 78249-0549, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1176/appi.ajp.2008.07121869DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2644284PMC
September 2008

Magnetic boron nitride nanoribbons with tunable electronic properties.

Nano Lett 2008 Aug 12;8(8):2210-4. Epub 2008 Jul 12.

Department of Physics, Central Michigan University, Mt. Pleasant, Michigan 48859, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/nl080745jDOI Listing
August 2008

Enhanced half-metallicity in edge-oxidized zigzag graphene nanoribbons.

Nano Lett 2007 Aug 12;7(8):2295-9. Epub 2007 Jul 12.

Department of Chemistry, Rice University, Houston, Texas 77005-1892, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/nl0708922DOI Listing
August 2007

Adjudicating neurocognitive endophenotypes for schizophrenia.

Am J Med Genet B Neuropsychiatr Genet 2007 Mar;144B(2):242-9

Department of Psychiatry, University of Texas Health Science Center San Antonio, San Antonio, Texas 78229-3900, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1002/ajmg.b.30446DOI Listing
March 2007

First-principles electronic transport calculations in finite elongated systems: a divide and conquer approach.

J Chem Phys 2006 Sep;125(11):114704

Department of Chemistry, Rice University, Houston, Texas 77005, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1063/1.2349482DOI Listing
September 2006

Screened exchange hybrid density-functional study of the work function of pristine and doped single-walled carbon nanotubes.

J Chem Phys 2006 Jan;124(2):024709

Department of Chemistry, Rice University, Houston, Texas 77005, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1063/1.2150213DOI Listing
January 2006

Linkage disequilibrium across two different single-nucleotide polymorphism genome scans.

BMC Genet 2005 Dec 30;6 Suppl 1:S86. Epub 2005 Dec 30.

Centro de Investigación en Biología Celular y Molecular, Ciudad de la Investigación, Universidad de Costa Rica, San José, Costa Rica.

View Article

Download full-text PDF

Source
http://bmcgenet.biomedcentral.com/articles/10.1186/1471-2156
Publisher Site
http://dx.doi.org/10.1186/1471-2156-6-S1-S86DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866694PMC
December 2005

Relativistic calculation of indirect NMR spin-spin couplings using the Douglas-Kroll-Hess approximation.

J Chem Phys 2005 Nov;123(20):204112

Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellón 1, 1428 Buenos Aires, Argentina.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1063/1.2133730DOI Listing
November 2005

Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional.

J Chem Phys 2005 Nov;123(17):174101

Department of Chemistry, Rice University, Houston, Texas 77005-1892, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1063/1.2085170DOI Listing
November 2005

Optical transitions in metallic single-walled carbon nanotubes.

Nano Lett 2005 Sep;5(9):1830-3

Department of Chemistry, Rice University, Houston, Texas 77005-1892, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/nl0509733DOI Listing
September 2005

Density functional theory study of optical transitions in semiconducting single-walled carbon nanotubes.

Nano Lett 2005 Aug;5(8):1621-4

Department of Chemistry, Rice University, Houston, Texas 77005-1892, USA.

View Article

Download full-text PDF

Source
http://pubs.acs.org/doi/abs/10.1021/nl0506352
Publisher Site
http://dx.doi.org/10.1021/nl0506352DOI Listing
August 2005

Assessment of Density Functionals for Predicting One-Bond Carbon-Hydrogen NMR Spin-Spin Coupling Constants.

J Chem Theory Comput 2005 Jul;1(4):541-5

Department of Chemistry, Rice University, Houston, Texas 77005-1892.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/ct050083fDOI Listing
July 2005

All-Electron Hybrid Density Functional Calculations on UFn and UCln (n = 1-6).

J Chem Theory Comput 2005 Jul;1(4):612-6

Department of Chemistry, Rice University, Houston, Texas 77005-1892, and Los Alamos National Laboratory, Theoretical Division, MS B268, Los Alamos, New Mexico 87545.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/ct050047gDOI Listing
July 2005

Scalar relativistic all-electron density functional calculations on periodic systems.

J Chem Phys 2005 Feb;122(8):84108

Department of Chemistry, Rice University, Houston, TX 77005-1892, USA.

View Article

Download full-text PDF

Source
http://aip.scitation.org/doi/10.1063/1.1851973
Publisher Site
http://dx.doi.org/10.1063/1.1851973DOI Listing
February 2005

Substituent effects on scalar J(13C, 13C) couplings in pyrimidines. An experimental and DFT study.

Magn Reson Chem 2004 Nov;42(11):938-43

Departamento de Física, FCEyN, Universidad de Buenos Aires, Ciudad Universitaria, P. 1 and CONICET (C1428EHA), Buenos Aires, Argentina.

View Article

Download full-text PDF

Source
http://doi.wiley.com/10.1002/mrc.1426
Publisher Site
http://dx.doi.org/10.1002/mrc.1426DOI Listing
November 2004

Density functional investigations of the properties and thermochemistry of UF6 and UF5 using valence-electron and all-electron approaches.

J Chem Phys 2004 Aug;121(5):2144-50

Los Alamos National Laboratory, Theoretical Division, MS B268, New Mexico 87545, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1063/1.1768518DOI Listing
August 2004

Density functional theory calculation of indirect nuclear magnetic resonance spin-spin coupling constants in C(70).

J Am Chem Soc 2004 Jun;126(24):7428-9

Department of Chemistry, Rice University, Houston, Texas 77005-1892, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/ja048141eDOI Listing
June 2004

Relativistic all-electron two-component self-consistent density functional calculations including one-electron scalar and spin-orbit effects.

J Chem Phys 2004 Apr;120(13):5875-81

Department of Chemistry, Rice University, Houston, Texas 77005-1892, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1063/1.1650309DOI Listing
April 2004

Role of left atrial appendage obliteration in stroke reduction in patients with mitral valve prosthesis: a transesophageal echocardiographic study.

J Am Coll Cardiol 2003 Oct;42(7):1253-8

Sección de Cardiología No Invasiva, Servicio de Cardiología, Hospital General Universitario Gregorio Marañón, Madrid, Spain.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/s0735-1097(03)00954-9DOI Listing
October 2003

On the capriciousness of the FCCF Karplus curve.

J Am Chem Soc 2002 Aug;124(33):9702-3

Department of Chemistry, Emory University, Atlanta, Georgia 30322, USA.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1021/ja0269136DOI Listing
August 2002

Behavioral dysfunction, brain oxidative stress, and impaired mitochondrial electron transfer in aging mice.

Am J Physiol Regul Integr Comp Physiol 2002 Apr;282(4):R985-92

Department of Biochemistry and Molecular Biology, Faculty of Medicine, University of Cadiz, 11003 Cadiz, Spain.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1152/ajpregu.00537.2001DOI Listing
April 2002