6O_LUMOb

Oct 29

Published at 1123 × 794 in Redox Allosteric Control – New communication in JACS

(6) Oxidized LUMO beta

Posted on October 29, 2018. Bookmark the permalink. Leave a comment.

Leave a comment
Comments 0

Leave a Reply Cancel reply

Enter your comment here...

Fill in your details below or click an icon to log in:

Email (required) (Address never made public)

Name (required)

Website

You are commenting using your WordPress.com account. ( Log Out / Change )

You are commenting using your Twitter account. ( Log Out / Change )

You are commenting using your Facebook account. ( Log Out / Change )

Cancel

Connecting to %s

Subscribe

Enter your email address to subscribe to this blog and receive notifications of new posts by email.

Join 6,463 other followers

Email Address:
July 2022

M T W T F S S

1 2 3

4 5 6 7 8 9 10

11 12 13 14 15 16 17

18 19 20 21 22 23 24

25 26 27 28 29 30 31

« Jun
Visitors
Tags
#CompChem #RealTimeChemCarnival ACS Alumni amazement Articles Atomic orbitals Bacteriochlorophyll basis set Blog Blogging calixarenes CCIQS CConnectionGFCHK::Parse_GFCHK() Chemistry Computational and Theoretical Chemistry computational chemist Computational Chemistry DFT DNA drug carriers drug delivery Excited States Fenna-Matthews-Olson FMO G09 G16 Gaussian GaussView Green Chemistry History of science Inorganic Chemistry Internet IRC IYC 2011 Journals Mathematics Models molecular dynamics NBO Nobel Prize paper Papers PCM Photochemistry photosynthesis QST2 QST3 quantum chemistry Quantum Mechanics Random thoughts Reaction Mechanism RealTimeChem Research RMFQT Science Silaghi-Dumitrescu Software Solvation Sustainability symposium Talks TD-DFT Teaching Theoretical Chemistry theoretical chemists theoretical physical chemistry Thesis Transition State Tricks Twitter UBB UNAM Visualization white papers
Categories
Alumni Articles Blogging Chemistry Computational Chemistry DFT Drug Delivery Gaussian Internet Journals Mathematics Models Molecular Dynamics NBO Paper Photochemistry Photosysnthesis Proteins Random thoughts Research Science Software Talks TD-DFT Teaching Theoretical Chemistry Tricks Twitter Uncategorized White papers
Archives
Archives
ACI Scholarly Blog Index
Follow me on Mendeley

Joaquin Barroso Flores is a member of Chemistry on Mendeley.
Blogroll
Search

Search for:
My twits
- RT @jctc_papers: [ASAP] Electronic Structure Effects Related to the Origin of the Remarkable Near-Infrared Absorption of ’ Light Harvesting… 1 day ago
- Photosynthesis in the near-IR. A New paper in JCTC joaquinbarroso.com/2022/06/29/pho… 2 days ago
- RT @LetciaMariaPeq1: Hi everyone, please check out my new @JuliaLanguage library: QuantumFoca.jl, to calculate molecular integrals accordin… 3 days ago
- Photosynthesis in the near-IR: How? Read all about it in our new JCTC paper, part of @GustavMondragon PhD research.… twitter.com/i/web/status/1… 3 days ago
Follow @joaquinbarroso
- June 2022 (3)
- May 2022 (2)
- March 2022 (1)
- February 2022 (1)
- December 2021 (1)
- November 2021 (2)
- September 2021 (1)
- March 2021 (1)
- January 2021 (1)
- December 2020 (2)
- November 2020 (1)
- October 2020 (2)
- August 2020 (1)
- July 2020 (3)
- June 2020 (1)
- April 2020 (1)
- March 2020 (2)
- February 2020 (1)
- January 2020 (1)
- December 2019 (1)
- October 2019 (2)
- August 2019 (2)
- June 2019 (1)
- May 2019 (2)
- March 2019 (1)
- February 2019 (1)
- January 2019 (1)
- December 2018 (3)
- November 2018 (2)
- October 2018 (2)
- September 2018 (2)
- June 2018 (1)
- May 2018 (3)
- January 2018 (4)
- December 2017 (3)
- November 2017 (1)
- October 2017 (4)
- September 2017 (2)
- August 2017 (4)
- July 2017 (3)
- June 2017 (2)
- April 2017 (1)
- March 2017 (3)
- February 2017 (2)
- December 2016 (1)
- November 2016 (3)
- October 2016 (1)
- September 2016 (1)
- June 2016 (3)
- May 2016 (2)
- April 2016 (2)
- February 2016 (1)
- January 2016 (1)
- December 2015 (1)
- November 2015 (3)
- October 2015 (3)
- August 2015 (2)
- July 2015 (1)
- June 2015 (2)
- May 2015 (3)
- February 2015 (1)
- December 2014 (2)
- November 2014 (1)
- October 2014 (3)
- August 2014 (1)
- July 2014 (1)
- June 2014 (4)
- May 2014 (2)
- April 2014 (1)
- March 2014 (1)
- February 2014 (2)
- January 2014 (2)
- December 2013 (1)
- November 2013 (2)
- October 2013 (2)
- September 2013 (3)
- July 2013 (1)
- June 2013 (1)
- May 2013 (1)
- April 2013 (6)
- March 2013 (3)
- February 2013 (1)
- December 2012 (1)
- November 2012 (1)
- October 2012 (1)
- September 2012 (3)
- August 2012 (1)
- July 2012 (1)
- June 2012 (2)
- May 2012 (1)
- April 2012 (1)
- February 2012 (1)
- January 2012 (3)
- December 2011 (1)
- November 2011 (2)
- October 2011 (1)
- September 2011 (2)
- August 2011 (2)
- June 2011 (3)
- April 2011 (1)
- March 2011 (1)
- January 2011 (1)
- November 2010 (3)
- October 2010 (1)
- August 2010 (3)
- July 2010 (2)
- June 2010 (1)
- May 2010 (1)
- April 2010 (1)
- February 2010 (1)
- January 2010 (1)
- December 2009 (2)
- November 2009 (1)
- September 2009 (3)
- August 2009 (3)
- July 2009 (3)
- June 2009 (2)
- May 2009 (4)
- April 2009 (1)
- March 2009 (4)
#CompChem #RealTimeChemCarnival Alumni amazement Articles Blog Blogging calixarenes CCIQS Chemistry Computational and Theoretical Chemistry Computational Chemistry DFT FMO G09 Gaussian History of science Internet Journals Mathematics Models molecular dynamics NBO Papers photosynthesis quantum chemistry Random thoughts Reaction Mechanism RealTimeChem Research RMFQT Science Software Sustainability Talks TD-DFT Teaching Theoretical Chemistry theoretical chemists theoretical physical chemistry Tricks Twitter UBB UNAM white papers
- Academia (4)
- ACS (8)
  
  JACS (2)
  
  JCIM (1)
  
  JCTC (2)
- AIM (2)
- Alumni (12)
- AMBER (2)
- Articles (24)
- Blogging (23)
- Books (5)
- calixarenes (8)
- Causality (3)
- CCIQS (8)
- Chemistry (32)
- Chemosensors (2)
- CINVESTAV (1)
- Coding (3)
- Collaborations (4)
- Computational Chemistry (134)
- CONACyT (4)
  
  COMECyT (2)
- COVID-19 (1)
- Crystallography (4)
- CTC (1)
- CUDA (2)
- DFT (17)
- DNA (5)
- Drug Delivery (10)
- Equipment (1)
- Fluorescence (6)
- Fluorescence Quenching (2)
- FMO (3)
- Food (2)
- Force Field (1)
- Fukui (2)
- GaussView (5)
- Genetic Engineering (1)
- Gold (1)
- GPU (2)
- Green Chemistry (4)
- GROMACS (1)
- Health (3)
- History of science (7)
- Humor (7)
- Inorganic Chemistry (8)
- Internet (27)
  
  RealTimeChem (4)
- Interns (2)
- IQUNAM (3)
- IYC 2011 (5)
- Journals (8)
- Literature (7)
- Mathematics (12)
- Mechanism (1)
- Mental Health (1)
- Models (25)
- Molecular Dynamics (10)
- NBO (16)
- NMR (2)
- Nobel Prize (4)
- Nomenclature (1)
- NVIDIA (1)
- Organic Chemistry (2)
- Paper (26)
- Patents (1)
- Philosophy (4)
- Photochemistry (11)
- Photosysnthesis (13)
- Proteins (8)
- Publications (7)
- QSAR (1)
- Quantum Mechanics (7)
- Random thoughts (40)
- Reaction Mechanisms (4)
- Religion (1)
- Research (24)
- RMFQT (8)
- RSC (4)
  
  Chemical Science (1)
  
  PCCP (3)
- Scandal (3)
- Science (36)
- Sensors (1)
- Software (10)
- Spectroscopy (8)
- Sustainability (6)
- Talks (33)
- TD-DFT (12)
- Teaching (16)
- Theoretical Chemistry (59)
- Thermodynamics (6)
- Thesis (6)
- Tricks (19)
- Twitter (12)
  
  #RealTimeChem (7)
  
  #RealTimeChemCarnival (5)
  
  LatinXchem (1)
- UNAM (7)
- Uncategorized (15)
- VCCC2014 (1)
- Visualization (8)
- WATOC (1)
- White papers (43)
  
  AIMALL (1)
  
  Gaussian (34)
  
  NBO (5)
- Writing (1)
RSS
- RSS - Posts
- RSS - Comments
Networked blogs

Follow this blog

Dr. Joaquin Barroso's Blog

Scientific log of a computational chemist – "Make like a molecule and React!"

6O_LUMOb

Leave a comment

Comments 0

Leave a Reply Cancel reply

Subscribe

Visitors

Tags

Archives

ACI Scholarly Blog Index

Follow me on Mendeley

Blogroll

Search

My twits

RSS

Networked blogs

Dr. Joaquin Barroso's Blog

Scientific log of a computational chemist – "Make like a molecule and React!"

6O_LUMOb

Leave a comment

Comments 0

Leave a Reply Cancel reply

Subscribe

Visitors

Tags

Categories

Archives

ACI Scholarly Blog Index

Follow me on Mendeley

Blogroll

Search

My twits

RSS

Networked blogs