José Ulises Reveles Ramírez
Ph.D. in Chemical Sciences
Post Doctoral Research Associate
Department of Physics,
Virginina Commonwealth University VCU
BOX 842000
1020 W. Main ST. Oliver Hall 2002
(804) 828-7149
Index
- Personal Data
- Publications
- Talks
- Research
- Languages
- Computer Experience
- Colaborations
- Links
- My Database 022708
(Compressed tar.gz file)
Is a database of experimental and optimized geometries I have collected from my scientific research, and
I want to share.
I will keep adding more geometries of published papers. Please feel free to use these data.
The geometries are given in xyz (Cartesian coordinates), and/or zmat (Zmatrix internal coodinates).
I have addopted the following symbols for naming the files:
n, c, a stand for neutral, anionic and cationic molecules respectively.
S1, S2, S3, etc. stand for the molecular spin multiplicity (Singlet, Doublet, Triplet, etc.).
EX, EX1, EX2, etc. stand for excited isomers whenever they exist.
Personal Data
Index
- Birthplace: México City
- date of birth: March 28, 1975
- Nationality: Mexican
- B. Sc. degree in Chemical Engineering (1993-1999) at the at the
National University of México (UNAM),
Cuautitlán México. (FES-C),
Tesis: "Síntesis de la (R)-N-alcanforimida posible agente
de inducción asimétrica en reacciones alílicas",
Advisor: Prof. M. en C. Rene Miranda Ruvalcava.
Ph.D. degree in Chemical Sciences (1999-2004). Chemistry Department,
Center for Research and Advanced Studies of the National
Polytechnic Institute Cinvestav), México City.
Tesis: "Geometry Optimization in LCGTO-DFT Methods with
Auxiliary Functions", Advisor: Prof. Dr. Andreas M. Köster.
Research
Index
- Development of new algorithms for the geometry optimization
- Quantitative Structure Activity Relationships (QSAR)
Languages
Index
- Spanish (Mother lenguage)
- English (Fluid, TOEFL)
- French (Basic)
Computer Experience
Index
- Computational Chemistry Software
deMon2k
Gaussian03
HyperChem
Programming Languages
FORTRAN 90
Latex
HTML
Operating Systems
AIX
IRIX
LINUX
MS-DOS, Windows 98/2002
Colaborations
Index
- Coauthor of the density functional program deMon 2003.
A.M. Köster, R. Flores-Moreno, G. Geudtner, A. Goursot,
T. Heine, J.U. Reveles, A. Vela, D.R. Salahub,
deMon2k, The International deMon Developers, Cinvestav, México (2007).
Available at:http://www.demon-software.com
Last update May - 9 - 2008.