Advertisements
April 2018 M T W T F S S « Jan 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 Visitors
Tags
#CompChem #RealTimeChemCarnival ACS Alumni amazement Articles Atomic orbitals basis set Blog Blogging calixarenes CCIQS CConnectionGFCHK::Parse_GFCHK() Chemistry Computational and Theoretical Chemistry Computational Chemistry conacyt DFT DNA drug carrier drug carriers drug delivery Fenna-Matthews-Olson FMO G09 Gaussian GaussView Green Chemistry History of science Instituto de Química Internet IRC IYC 2011 Journals Literature Mathematics Models molecular dynamics NBO Nobel Prize paper Papers Pauling PCM Peer review Photochemistry photosynthesis Pécs QST2 QST3 quantum chemistry Quantum Mechanics Random thoughts Reaction Mechanism RealTimeChem Research RMFQT Science Silaghi-Dumitrescu Software Solvation Sustainability symposium Talks Teaching Theoretical Chemistry theoretical chemists Thesis Transition State Tricks Twitter UBB UNAM Visualization white papersCategories
#RealTimeChem Alumni Articles Blogging calixarenes CCIQS Chemistry Computational Chemistry DFT Drug Delivery Gaussian Internet Mathematics Models NBO Paper Photosysnthesis Proteins Random thoughts Research Science Software Talks Teaching Theoretical Chemistry Tricks Twitter UNAM Uncategorized White papersArchives
ACI Scholarly Blog Index
Follow me on Mendeley
Joaquin Barroso Flores is a member of Chemistry on Mendeley.
Blogroll
Search
My twits
- RT @stuartcantrill: Chemtweeps - we have a bunch of hardcopies of @NatureChemistry from 2014-2017 (a lot from 2015). Anybody want some copi… 19 hours ago
- LiH is covalent in VB and ionic in QTAIM, the one and only Angel M. Pendás says blame it on Li 2s diffuse nature twitter.com/ampendas/statu… 19 hours ago
- RT @difacquim: Call for papers "Special Issue "New approaches for the discovery of pharmacologically active natural compounds" https://t.co… 2 days ago
- It was just brought to my attention that cursing and swearing at the workplace is strongly discouraged. No wonder s… twitter.com/i/web/status/9… 2 days ago
-
-
ArivazhaganDear Neha, Can you show me your input? Did you generalize the basis set or directly put in the input
-
AbdurrahmanDear Sir, i am trying to find intermolecular hydrogen bond interactions in dimer structure of an org
-
ShashaHi There, Thank you SO MUCH! I was actually holding my breath as I followed these directions. It wor
-
ravinder konda#imaginary frequency Hi sir while i am calculating the temperature files by using the following path
-
LABANYA BHATTACHARYADear Sir, I am trying to learn the potential energy surface (PES) scan of the small donor molecule/P
-
EstefaniaHola. He tenido exactamente el mismo error, "Inv3 failed in PCMMkU", para el cual estoy encontrando
-
NazmiyeDear Dr. Joaquin, I am trying to find a transtion state for the reaction between aminoguanidine and
-
dr prem raj p (@profpremrajp)prof premraj pushpakaran writes -- 2018 marks the 100th birth year of Fukui Kenichi!!!
- Rigid and Relaxed Potential Energy Surface Scans (PES Scan) in Gaussian 03 and Gaussian 09 (270)
- Polarizable Continuum Model (PCM) in G03 (207)
- Natural Bond Orbitals (NBO) visualization (144)
- How to calculate Fukui indices (104)
- Analyzing Natural Bond Orbitals (NBO) results from Gaussian ’03 & ’09 (87)
- The Gen keyword in Gaussian. Adding an external basis set. (46)
- A new beginning (36)
- Transition State Search (QST2 & QST3) and IRC with Gaussian09 (32)
- Polarizability and Hyperpolarizability in Gaussian (31)
- Polarizable Continuum Model (PCM) in G09 (Part II) (23)
- 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 drug delivery FMO Gaussian History of science Internet IYC 2011 Journals Mathematics Models NBO Papers photosynthesis QST2 QST3 quantum chemistry Random thoughts Reaction Mechanism RealTimeChem Research RMFQT Science Silaghi-Dumitrescu Software Sustainability Talks Teaching Theoretical Chemistry Thesis Tricks UBB UNAM white papers- ACS (5)
- AIM (1)
- Alumni (9)
- Articles (18)
- Blogging (17)
- Books (5)
- calixarenes (8)
- Causality (2)
- CCIQS (8)
- Chemistry (22)
- Chemosensors (1)
- Coding (2)
- Collaborations (2)
- Computational Chemistry (93)
- CONACyT (4)
- COMECyT (2)
- Crystallography (3)
- CTC (1)
- CUDA (1)
- DFT (8)
- DNA (4)
- Drug Delivery (8)
- Equipment (1)
- Fluorescence (1)
- Fluorescence Quenching (1)
- FMO (1)
- Food (2)
- Fukui (1)
- GaussView (4)
- Genetic Engineering (1)
- GPU (2)
- Green Chemistry (3)
- GROMACS (1)
- Health (2)
- History of science (5)
- Humor (5)
- Inorganic Chemistry (2)
- Internet (24)
- RealTimeChem (4)
- Interns (2)
- IQUNAM (3)
- IYC 2011 (5)
- Journals (5)
- Literature (4)
- Mathematics (12)
- Models (20)
- Molecular Dynamics (6)
- NBO (12)
- Nobel Prize (3)
- Nomenclature (1)
- NVIDIA (1)
- Organic Chemistry (1)
- Paper (17)
- Philosophy (4)
- Photochemistry (5)
- Photosysnthesis (9)
- Proteins (6)
- Publications (3)
- QSAR (1)
- Quantum Mechanics (5)
- Random thoughts (35)
- Reaction Mechanisms (1)
- Religion (1)
- Research (20)
- RMFQT (3)
- RSC (3)
- PCCP (3)
- Scandal (3)
- Science (33)
- Sensors (1)
- Software (10)
- Spectroscopy (3)
- Sustainability (5)
- Talks (27)
- TD-DFT (5)
- Teaching (13)
- Theoretical Chemistry (44)
- Thermodynamics (1)
- Thesis (5)
- Tricks (13)
- Twitter (9)
- #RealTimeChem (7)
- UNAM (6)
- Uncategorized (15)
- VCCC2014 (1)
- Visualization (6)
- WATOC (1)
- White papers (31)
-
RSS
Networked blogs
Advertisements
very nice homo lumo