Search results
- 1.0452202 - BTÚ 2016 RIV CZ eng L4 - Software
Černý, Jiří - Biedermannová, Lada - Schneider, Bohdan
Atlas of Protein Hydration.
Internal code: webatlas_hydratace ; 2014
Technical parameters: website, html, css, javascript, JSmol applet
Economic parameters: typový projekt
R&D Projects: GA ČR(CZ) GPP205/12/P729; GA MŠMT(CZ) ED1.1.00/02.0109
Institutional support: RVO:86652036
Keywords : protein hydration * structural biology * X-ray crystallography * Interaction energy * quantum chemistry
Subject RIV: BO - Biophysics
http://www.dnatco.org/atlas
Permanent Link: http://hdl.handle.net/11104/0253227 - 2.0391154 - BTÚ 2013 RIV CZ eng L4 - Software
Černý, Jiří
Compelete basis set (CBS) CCSD(T) numerical vibrational frequency calculation.
Internal code: numforce_ccsd(t)_cbs ; 2012
Technical parameters: BASH skript
Economic parameters: nekomerční
Institutional research plan: CEZ:AV0Z50520701
Keywords : compelete basis set (CBS) hybrid gradient * CCSD(T) * numerical vibrational frequency calculation
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0220041 - 3.0391153 - BTÚ 2013 RIV CZ eng L4 - Software
Černý, Jiří
Compelete basis set (CBS) MP3 numerical vibrational frequency calculation.
Internal code: numforce_mp3_cbs ; 2012
Technical parameters: BASH skript
Economic parameters: nekomerční
Institutional research plan: CEZ:AV0Z50520701
Keywords : compelete basis set (CBS) hybrid gradient * MP3 * numerical vibrational frequency calculation
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0220040 - 4.0391151 - BTÚ 2013 RIV CZ eng L4 - Software
Černý, Jiří
Compelete basis set (CBS) scaled MP3 (MP2.5) numerical vibrational frequency calculation.
Internal code: numforce_mp2.5_cbs ; 2012
Technical parameters: BASH skript
Economic parameters: nekomerční
Institutional research plan: CEZ:AV0Z50520701
Keywords : compelete basis set (CBS) hybrid gradient * MP2.5 * numerical vibrational frequency calculation
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0220042 - 5.0391150 - BTÚ 2013 RIV CZ eng L4 - Software
Černý, Jiří
Compelete basis set (CBS) MP2 numerical vibrational frequency calculation.
Internal code: numforce_mp2_cbs ; 2012
Technical parameters: BASH skript
Economic parameters: nekomerční
Institutional research plan: CEZ:AV0Z50520701
Keywords : compelete basis set (CBS) hybrid gradient * MP2 * numerical vibrational frequency calculation
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0220039 - 6.0391149 - BTÚ 2013 RIV CZ eng L4 - Software
Černý, Jiří
Scaled MP3 (MP2.5) numerical vibrational frequency calculation.
Internal code: numforce_mp2.5 ; 2012
Technical parameters: BASH skript
Economic parameters: nekomerční
Institutional research plan: CEZ:AV0Z50520701
Keywords : numerical vibrational frequency calculation * scaled MP3 (MP2.5) * hybrid gradient
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0220038 - 7.0391148 - BTÚ 2013 RIV CZ eng L4 - Software
Černý, Jiří - Schneider, Bohdan
Assignment of DNA conformers, web server dnas.img.cas.cz.
Internal code: DNAS ; 2013
Technical parameters: web service, PHP+BASH skripty, licence GPL 3
Economic parameters: nekomerční
Institutional research plan: CEZ:AV0Z50520701
Keywords : conformer assignment * backbone torsion angles * DNA
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0220026 - 8.0340877 - BTÚ 2010 RIV CZ eng L4 - Software
Černý, Jiří
Compelete basis set (CBS) CCSD(T) hybrid gradient geometry optimization.
Internal code: ccsd(t)_cbs_opt ; 2010
Technical parameters: BASH skript, licence GPL 3
Institutional research plan: CEZ:AV0Z50520701
Keywords : compelete basis set (CBS) hybrid gradient * CCSD(T) * geometry optimization
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0184027 - 9.0340870 - BTÚ 2010 RIV CZ eng L4 - Software
Černý, Jiří
Compelete basis set (CBS) scaled MP3 (MP2.5) hybrid gradient geometry optimization.
Internal code: mp2.5_cbs_opt ; 2010
Technical parameters: BASH skript, licence GPL 3
Institutional research plan: CEZ:AV0Z50520701
Keywords : compelete basis set (CBS) hybrid gradient * MP2.5 * geometry optimization
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0184025 - 10.0340867 - BTÚ 2010 RIV CZ eng L4 - Software
Černý, Jiří
Compelete basis set (CBS) MP3 hybrid gradient geometry optimization.
Internal code: mp3_cbs_opt ; 2010
Technical parameters: BASH skript, licence GPL 3
Institutional research plan: CEZ:AV0Z50520701
Keywords : compelete basis set (CBS) hybrid gradient * MP3 * geometry optimization
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0184022