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Dean Tantillo
UC Davis Che●●●●●●●●●●●●ields Avenue
Da●●is , California, 95616
US
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Dean Tantillo
UC Davis Che●●●●●●●●●●●●ields Avenue
Da●●is , California, 95616
US
View this contact
Dean Tantillo
UC Davis Che●●●●●●●●●●●●ields Avenue
Da●●is , California, 95616
US
View this contact
Dean Tantillo
UC Davis Che●●●●●●●●●●●●ields Avenue
Da●●is , California, 95616
US
View this contact
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CHESHIRE Chemical Shift Repository | cheshirenmr.info Reviews
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cheshirenmr.info
CHESHIRE Chemical Shift Repository
http://www.cheshirenmr.info/index.htm
Welcome to CHESHIRE CCAT, the Chemical Shift Repository for computed NMR scaling factors, with Coupling Constants Added Too. The mission of this web site is to facilitate the use of chemical shift and coupling constant calculations in organic chemistry research, with a particular focus on empirical scaling techniques. To this end, we endeavor herein to:. Provide a central location where empirical scaling factors for computed chemical shifts can be catalogued and easily retrieved. These analyses (termed C...
CHESHIRE Chemical Shift Repository
http://www.cheshirenmr.info/MoleculeSets.htm
Lodewyk, Siebert, and Tantillo). This "Test Set" database of 80 small organic molecules was initially compiled (with. H data) by Rablen, et al. It was then later augmented with. C data by Tantillo, et al. Note: A caveat with the. C data is the presence of carbon atoms bearing chlorine and other halogens. While not an issue at all for the. H data, specific errors caused by neglect of relativistic effects lead to extra error in the. C data, which adversely affects the linear regression data.
CHESHIRE Chemical Shift Repository
http://www.cheshirenmr.info/Contributors.htm
Dr Michael W. Lodewyk. Department of Chemistry, University of California, Davis. Mike is an author of our review paper. And this web site. He determined many of the scaling factors. Contained herein and also contributed to the molecule databases. And other content found in this site. Dr Matthew R. Siebert. Department of Chemistry and Biochemistry, Texas Tech University. Matt is an author of our review paper. And this web site. He wrote the scripts contained on the calculation files. This material is base...
CHESHIRE Chemical Shift Repository
http://www.cheshirenmr.info/References.htm
Tan12a: Lodewyk, M. W. Siebert, M. R. Tantillo, D. J. Chem. Rev. Tan12b: Lodewyk, M. W. Soldi, C. Jones, P. B. Olmstead, M. M. Larrucea, J. R. Shaw, J. T. Tantillo, D. J. J. Am. Chem. Soc. Tan11b: Lodewyk, M. W. Tantillo, D. J. J. Nat. Prod. Rab11a: Jain, R. Bally, T. Rablen, P. R. J. Org. Chem. Rab09a: Jain, R. J. Bally, T. Rablen, P. R. J. Org. Chem. Rab99a: Rablen, P. R. Pearlman, S. A. Finkbiner, J. J. Phys. Chem. A. Kut14a: Kutateladze, A. G. Mukhina, O. A. J. Org. Chem. Evi99a: Evidente, A. Abo...
CHESHIRE Chemical Shift Repository
http://www.cheshirenmr.info/Instructions.htm
Using Existing Scaling Factors. Generating New Scaling Factors. Re-optimizing Test and Probe Set Geometries. H Coupling Constants and Computed Chemical Shifts. Computed Chemical Shifts - Basic NMR Calculations. Utilizing existing scaling factors to compute scaled chemical shifts for your molecule of interest. Generating new scaling factors from the molecule databases. Re-optimizing the geometries of the molecule databases. Computed Chemical Shifts - Utilizing Existing Scaling Factors. Eigenvalues: 25....
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Relativistic Force Field DU8c
http://kgroup.du.edu/rff
Relativistic Force Field ( RFF. Is our new method for fast and accurate calculations of nuclear spin-spin coupling constants (SSCCs). Selected examples of SSCCs calculated with RFF (DU8c). Are found below with links to interactive structures and spectra. RFF: origin of the term. These missing SOC contributions and improve the accuracy of SSCCs calculations, not unlike the ubiquitous Force Fields. In molecular mechanics utilize sets of empirical parameters to fake. Our new (and very light. Basis set, DU8.
Computational Chemistry Highlights: February 2015
http://www.compchemhighlights.org/2015_02_01_archive.html
Important recent papers in computational and theoretical chemistry. A free resource for scientists run by scientists. Friday, February 27, 2015. Water–Water and Water–Solute Interactions in Microsolvated Organic Complexes. Pérez, C. Neill, J. L. Muckle, M. T. Zaleski, D. P. Peña, I. Lopez, J. C. Alonso, J. L. Pate, B. H. Angew. Chem. Int. Ed. 2015, 54, 979-982. Contributed by Steven Bachrach. Reposted from Computational Organic Chemistry. O cluster and 0.244 Å for the 1. Is only 0.2 kJ mol. Water rings a...
NMR calculation resources: CP3 and DP4
http://www-jmg.ch.cam.ac.uk/tools/nmr
Assignment of stereochemistry and structure using CP3 and DP4. Assigning the Stereochemistry of Pairs of Diastereoisomers Using GIAO NMR Shift Calculation. S G Smith and J. M. Goodman J. Org. Chem. Assigning Stereochemistry to Single Diastereoisomers by GIAO NMR Calculation: The DP4 Probability. S G Smith and J. M. Goodman J. Am. Chem. Soc. Expanding DP4: Application to drug compounds and automation. K Ermanis, K. E. B. Parkes, T. Agback and J. M. Goodman Org. Biomol. Chem. Last updated September 18, 2016.
Publications
http://blueline.ucdavis.edu/2ndTier/Publications.html
Click on publication numbers. Research papers are detailed records of how effort and time - even lives - have been spent, and a knowledgeable person can by reading a research paper judge the quality of the 'minds and hands' of the authors. Donald J. Cram. It has often been said / there's so much to be read, / you never can cram / all those words in your head. / So the writer who breeds / more words than he needs / is making a chore / for the reader who reads. Tantillo, D. J. Tantillo, D. J. Hare, S. R.
Relativistic Force Field DU8c
http://biochem.du.edu/rff
Relativistic Force Field ( RFF. Is our new method for fast and accurate calculations of nuclear spin-spin coupling constants (SSCCs). Selected examples of SSCCs calculated with RFF (DU8c). Are found below with links to interactive structures and spectra. RFF: origin of the term. These missing SOC contributions and improve the accuracy of SSCCs calculations, not unlike the ubiquitous Force Fields. In molecular mechanics utilize sets of empirical parameters to fake. Our new (and very light. Basis set, DU8.
Representation and Presentation
http://blueline.ucdavis.edu/2ndTier/Representation.html
So for now I will just present a collection of images that I have produced for use in papers, in lectures, on journal covers, and just for fun. Other examples of science related artwork can be found at the Image and Meaning. And Art and Science Collaborations, Inc. Websites, as well as David S. Goodsell. S, Eric Heller. S, and Nick DeMello. A wonderful book of molecular images that predates the rise of computer graphics is The Architecture of Molecules. Some of my non-chemistry images can be found here.
Press
http://blueline.ucdavis.edu/2ndTier/Press.html
Work on the Walking in the Woods with Chemistry project. Chemical and Engineering News. Distinguished Graduate Teaching Award. Is mentioned in the UCD news. Good thing Dean has ginormous hands to hold all those models. Work on the Walking in the Woods with Chemistry project. Dean and someone named Brandi. HuNdson are featured in UCD's. 15 Professors Give Advice on Grad School. Work on the Walking in the Woods with Chemistry project. Work on domino Diels-Alder reactions. Work on santalin Y. Reaction is hi...
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CHESHIRE Chemical Shift Repository
Welcome to CHESHIRE CCAT, the Chemical Shift Repository for computed NMR scaling factors, with Coupling Constants Added Too. The mission of this web site is to facilitate the use of chemical shift and coupling constant calculations in organic chemistry research, with a particular focus on empirical scaling techniques. To this end, we endeavor herein to:. Provide a central location where empirical scaling factors for computed chemical shifts can be catalogued and easily retrieved. These analyses (termed C...
Cheshire Noir - The Adventures of One Dark Kitten.
Cheshire Noir - The Adventures of One Dark Kitten. A blog to relieve frustrations, stresses and other Angst (tm) Oh and to rant. Rant quite a bit in fact. Okay, a lot. Wednesday, January 12, 2005. Folks, I am abandoning my blog here. Henceforth I'll be using my Livejournal. Friends me, and you can easily read each update I do. Posted by Night's Edge @ 11:08 AM. Tuesday, January 11, 2005. Click for a BIG piccie. Posted by Night's Edge @ 1:58 PM. Tuesday, January 04, 2005. Better go and have a look. View m...
CheshireNoir
Upgrade to paid account! One Dark Little Kitten. Webcomics I am reading - Pt 2. Aug 16th, 2015 01:53 pm. There are other webcomics I read too. These update once a week so I read them on Sunday as many of my comics don't update on Sunday. Sexy adventures of two girls in love, one of whom happens to be made of liquorice? Strange fantasy adventure in the afterlife. 3 women explore their fantasy world. Humorous and sometimes very silly. Manly Guys Doing Manly Things. After an incantation goes wrong, Sandra f...
Cheshire Nonprofit Law
Our exclusive focus is nonprofit law. We provide sophisticated legal counsel to nonprofit organizations of any size, in any stage of development – that way nonprofit leaders can stay mission focused. Get to Know Us. Cheshire Law Group is a sophisticated law office in a small shop, addressing everything from legal crises to our clients’ day-to-day needs. We take a holistic and pragmatic approach to providing legal counsel. Historic Germantown is more than our home; it's our inspiration. We take pride ...
Stephen Poyner - Notary Public for Cheshire and the surrounding area
Who is Stephen Poyner? Stephen Poyner is a Notary Public as well as being a Partner in Forshaws. Davies Ridgway LLP. He is both a full member of the Notaries Society and a member of the Law Society of England and Wales. Stephen provides a wide range of Notarial services for individuals and businesses. Clients can be seen at any of the offices in Warrington or visited at the client’s premises by arrangement. Learn more about Stephen Poyner at FDR Law. Are you ready to see a Notary? 01925) 23 00 00.
Welcome - Cheshire Notary Public
Skip to main content. IMPORTANT MESSAGE (March 2018). Following my recent retirement all Enquiries regarding Notarial-related matters should now be directed to Nicola MacCarthy whose efficient, courteous, and personable Notary Public services I can confidently recommend. She may be contacted by telephone ( 07498 306 663); or by email (enquiries@nicolamaccarthy.com). I am grateful for the support and confidence I have enjoyed from Clients and professional Colleagues during my many years of practice.
