česky | in English
RIV/00216224:14740/13:00068377 Article in a journal. Physical chemistry and theoretical chemistry. English. United States of America.
Standara, Stanislav (203 Czech Republic, belonging to the institution) -- Kulhánek, Petr (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution) -- Straka, Michal (203 Czech Republic, belonging to the institution)
Keywords in English: 129Xe NMR; Xe@C60; dynamical averaging; explicit solvent ; relativistic effects
International impact: yes
Reviewed: yes
Changed by: Olga Křížová, učo 56639. Changed: 25/4/2014 16:19.
RIV/00216224:14740/12:00074606 Article in a journal. Physical chemistry and theoretical chemistry. English. United Kingdom of Great Britain and Northern Ireland.
Lantto, Perttu (246 Finland) -- Standara, Stanislav (203 Czech Republic, guarantor, belonging to the institution) -- Riedel, Sebastian (276 Germany) -- Vaara, Juha (246 Finland) -- Straka, Michal (203 Czech Republic)
Keywords in English: COUPLED-CLUSTER CALCULATIONS; DENSITY-FUNCTIONAL CALCULATIONS; RESONANCE SHIELDING TENSORS; NOBLE-GAS ATOMS; RARE-GAS; AB-INITIO; SPECTROSCOPIC PARAMETERS; NUCLEAR SHIELDINGS; MATRIX-ISOLATION; NMR PROPERTIES
International impact: yes
Reviewed: yes
Changed by: Olga Křížová, učo 56639. Changed: 9/6/2014 09:24.
Name in Czech: Krystalová a molekulární struktura aquapentachloroiridia draselného a 1H, 13C, 15N NMR koordinační posuny chloridových komplexů iridia(III) s 2,2'-bipyridinem nebo 1,10-fenantrolinem
Name (in English): The crystal and molecular structure of potassium aquapentachloroiridate(III) and the 1H, 13C, 15N NMR coordination shifts in iridium(III) chloride complexes with 2,2'-bipyridine or 1,10-phenantroline
RIV/00216224:14310/08:00026618 Article in a journal. Physical chemistry and theoretical chemistry. English. Czech Republic.
Pazderski, Leszek (616 Poland) -- Toušek, Jaromír (616 Poland, guarantor) -- Wojtczak, Andrzej (616 Poland) -- Sitkowski, Jerzy (616 Poland) -- Kozerski, Lech (616 Poland) -- Szlyk, Edward (616 Poland)
Keywords in English: NMR; Quantum chemical calculations
Changed by: Mgr. Jaromír Toušek, Dr., učo 2400. Changed: 29/10/2008 09:58.
Name in Czech: 15N NMR Spectroscopy in Structural Analysis: An Update (2001-2005)
RIV/00216224:14310/07:00022182 Article in a journal. Organic chemistry. English. Netherlands.
Marek, Radek (203 Czech Republic, guarantor, belonging to the institution) -- Lyčka, Antonín (203 Czech Republic) -- Kolehmainen, Erkki (246 Finland) -- Sievänen, Elina (246 Finland) -- Toušek, Jaromír (203 Czech Republic, belonging to the institution)
Keywords in English: 15N NMR spectroscopy; inverse detection; CP/MAS; quantum chemical calculations; 15N chemical shift tensor; hydrogen bonding; tautomerism; complexation
International impact: yes
Reviewed: yes
Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 7/3/2015 09:21.
Name in Czech: Experimentální a kvantově chemická studie N-15 NMR koordinačních posunů v komplexech palladia a platiny s pyridinem, 2,2'-bipyridinem a 1,10-phenantrolinem
RIV/00216224:14310/06:00025552 Article in a journal. Physical chemistry and theoretical chemistry. English. United Kingdom of Great Britain and Northern Ireland.
Pazderski, Leszek (616 Poland) -- Szlyk, Edward (616 Poland) -- Sitkowski, Jerzy (616 Poland) -- Kamienski, Bohdan (616 Poland) -- Kozerski, Lech (616 Poland) -- Toušek, Jaromír (203 Czech Republic, guarantor, belonging to the institution) -- Marek, Radek (203 Czech Republic, belonging to the institution)
Keywords in English: NMR; Quantum chemical calculations
International impact: yes
Reviewed: yes
Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 7/3/2015 09:27.
Name in Czech: Kvantově chemické výpočty NMR parametrů Co a Au komplexů s dusíkatými heterocykly
Name (in English): Quantum chemical calculations of NMR parameters of Co and Au complexes with nitrogen heterocycles
RIV/00216224:14310/06:00016798 Proceedings paper. Physical chemistry and theoretical chemistry. Czech. Czech Republic.
Toušek, Jaromír (203 Czech Republic, guarantor, belonging to the institution) -- Pazderski, Leszek (616 Poland) -- Marek, Radek (203 Czech Republic, belonging to the institution)
Keywords in English: NMR; Quantum chemical calculations
Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 28/4/2011 14:22.
Name in Czech: Substituované puriny: Experimentální a teoretická studie NMR parametrů
RIV/00216224:14310/06:00016069 Conference abstract. Physical chemistry and theoretical chemistry. English. Poland.
Maliňáková, Kateřina (203 Czech Republic) -- Standara, Stanislav (203 Czech Republic) -- Zacharová, Zuzana (703 Slovakia) -- Toušek, Jaromír (203 Czech Republic) -- Marek, Radek (203 Czech Republic, guarantor) -- Sklenář, Vladimír (203 Czech Republic)
Keywords in English: NMR; purine; quantum chemical calculations
Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 9/4/2010 17:34.
Name in Czech: 1H, 13C, 15N NMR koordinační posuny Pd(II) a Pt(II) chloridových komplexů s chinolinem a jejich vztah ke struktuře
Name (in English): 1H, 13C, 15N NMR coordination shifts in Pd(II) and Pt(II) chloride complexes with quinolines and their relation to the molecular structure
RIV/00216224:14310/06:00017967 Proceedings paper. Physical chemistry and theoretical chemistry. English. Poland.
Pazderski, Leszek (616 Poland) -- Sitkowski, Jerzy (616 Poland) -- Toušek, Jaromír (203 Czech Republic, guarantor) -- Marek, Radek (203 Czech Republic) -- Kozerski, Lech (616 Poland)
Keywords in English: NMR; Quantum chemical calculations
Changed by: Mgr. Jaromír Toušek, Dr., učo 2400. Changed: 20/12/2006 12:06.
Name in Czech: Kvantově chemické výpočty 15N chemických posunů Pd a Pt kompleců s dusíkatými heterocykly
Name (in English): Quantum chemical calculations of 15N NMR chemical shifts of Pd and Pt complexes with nitrogen containing heterocycles
RIV/00216224:14310/05:00014824 Proceedings paper. Physical chemistry and theoretical chemistry. English. Poland.
Toušek, Jaromír (203 Czech Republic, guarantor) -- Pazderski, Leszek (616 Poland) -- Marek, Radek (203 Czech Republic)
Keywords in English: NMR; Quantum chemical calculations
Changed by: Mgr. Jaromír Toušek, Dr., učo 2400. Changed: 25/5/2006 14:35.
Name in Czech: Teoretické a experimentální NMR parametry substituovaných purinů
Name (in English): Theoretical and Experimental NMR Parametres of Substituted Purines
RIV/00216224:14310/05:00014223 Proceedings paper. Physical chemistry and theoretical chemistry. Polish. Poland.
Standara, Stanislav (203 Czech Republic) -- Maliňáková, Kateřina (203 Czech Republic) -- Zacharová, Zuzana (703 Slovakia) -- Toušek, Jaromír (203 Czech Republic) -- Hocek, Michal (203 Czech Republic) -- Marek, Radek (203 Czech Republic, guarantor)
Keywords in English: NMR; Quantum chemical calculations; Purines
Changed by: Mgr. Kateřina Bouzková, Ph.D., učo 41974. Changed: 3/9/2007 14:34.
Name in Czech: Teoretická a experimentální NMR studie isomerů protopin hydrochloridu
Name (in English): Theoretical and experimental NMR study of protopine hydrochloride isomers
RIV/00216224:14310/05:00013828 Article in a journal. Physical chemistry and theoretical chemistry. Czech. Czech Republic.
Toušek, Jaromír (203 Czech Republic, guarantor) -- Maliňáková, Kateřina (203 Czech Republic) -- Dostál, Jiří (203 Czech Republic) -- Marek, Radek (203 Czech Republic)
Keywords in English: protopine; alkaloid; NMR; quantum chemical calculations
Changed by: doc. RNDr. Jiří Dostál, CSc., učo 1309. Changed: 18/6/2009 13:43.
Name in Czech: Výpočty 15N NMR chemických posunů Pd a Pt komplexů s dusíkatými heterocykly
Name (in English): Calculations of 15N NMR chemical shifts of Pd and Pt complexes with nitrogen containing heterocycles
RIV/00216224:14310/05:00013827 Proceedings paper. Physical chemistry and theoretical chemistry. Czech. Czech Republic.
Toušek, Jaromír (203 Czech Republic, guarantor) -- Pazderski, Leszek (616 Poland) -- Marek, Radek (203 Czech Republic)
Keywords in English: Quantum chemical calculations; NMR
Changed by: Mgr. Jaromír Toušek, Dr., učo 2400. Changed: 25/5/2006 14:37.
Name in Czech: 2',4'-Dihydroxy-3-methoxy-a,b-dihydrochalkon a 2',4-dihydroxy-a,b-dihydrochalkon: supermolekulárí struktury tvořené O-H...O, C-H...O a stacking interakcemi
Name (in English): 2',4'-Dihydroxy-3-methoxy-a,b-dihydrochalcone and 2',4-dihydroxy-a,b-dihydrochalcone: supermolecular structures formed by O-H...O, C-H...O and stacking interactions
RIV/00216224:14310/05:00014661 Article in a journal. Physical chemistry and theoretical chemistry. Czech. Czech Republic.
Marek, Jaromír (203 Czech Republic) -- Lunerová, Kamila (203 Czech Republic) -- Toušek, Jaromír (203 Czech Republic, guarantor) -- Suchý, Václav (203 Czech Republic) -- Marek, Radek (203 Czech Republic)
Keywords in English: x-ray; quantum chemical calculations
Changed by: Mgr. Jaromír Toušek, Dr., učo 2400. Changed: 31/1/2006 17:39.
Name (in English): The study of the influence of the intermolecular interactions on the 15N NMR chemical shifts of the 6-benzylaminopurine derivatives
RIV/00216224:14310/04:00010312 Proceedings paper. Physical chemistry and theoretical chemistry. Czech. Czech Republic.
Toušek, Jaromír (203 Czech Republic, guarantor) -- Marek, Radek (203 Czech Republic) -- Brus, Jiří (203 Czech Republic) -- Trávníček, Zdeněk (203 Czech Republic)
Keywords in English: Quantum chemical calculations; NMR spectroscopy
Changed by: Mgr. Jaromír Toušek, Dr., učo 2400. Changed: 11/2/2005 11:08.
Name in Czech: Výpočty 15N NMR chemických posunů derivátů 6-benzylaminopurinu
Name (in English): Theoretical Calculations of 15N NMR Chemical Shifts of 6-benzylaminopurine Derivatives
Physical chemistry and theoretical chemistry. English. Czech Republic.
Keywords in English: NMR chemical shifts; Quantum Chemical Calculations
Changed by: RNDr. JUDr. Vladimír Šmíd, CSc., učo 1084. Changed: 2/6/2005 11:01.
Name (in English): Quantum chemical calculations of 15N NMR chemical shifts of 6-benzylaminopurin
RIV/00216224:14310/03:00009269 Article in a journal. Physical chemistry and theoretical chemistry. Czech. Czech Republic.
Toušek, Jaromír (203 Czech Republic, guarantor) -- Marek, Radek (203 Czech Republic) -- Brus, Jiří (203 Czech Republic) -- Trávníček, Zdeněk (203 Czech Republic)
Keywords in English: Quantum chemical calculations; NMR chemical shifts
Changed by: Mgr. Jaromír Toušek, Dr., učo 2400. Changed: 9/12/2003 11:26.
Name (in English): Configurations and conformations of sanguinarine and chelerythrine free bases stereoisomers
RIV/00216224:14110/02:00006314 Article in a journal. Physical chemistry and theoretical chemistry. English. Czech Republic.
Toušek, Jaromír (203 Czech Republic) -- Dommisse, Roger (56 Belgium) -- Dostál, Jiří (203 Czech Republic) -- Žák, Zdirad (203 Czech Republic) -- Pieters, Luc (56 Belgium) -- Marek, Radek (203 Czech Republic, guarantor)
Keywords in English: Sanguinarine; Chelerythrine; NMR spectroscopy; X-ray crystallography; Quantum chemical calculations
Changed by: doc. RNDr. Jiří Dostál, CSc., učo 1309. Changed: 22/6/2009 12:52.
Name (in English): Quantum Chemical Calculations of the Chemical Shielding Tensors of N7 and N9 Substituted Purine Derivatives
RIV/00216224:14310/02:00005610 Proceedings paper. Physical chemistry and theoretical chemistry. Czech. Czech Republic.
Toušek, Jaromír (203 Czech Republic, guarantor) -- Marek, Radek (203 Czech Republic) -- Brus, Jiří (203 Czech Republic) -- Kovács, Lajos (348 Hungary) -- Hocková, Dana (203 Czech Republic)
Keywords in English: 15N NMR chemical shifts; Quantum chemical calculations
Changed by: Mgr. Jaromír Toušek, Dr., učo 2400. Changed: 27/3/2002 12:32.
Name (in English): Conformational Analysis and Quantum Chemical Calculations of the Chemical Shifts of sanguinarin free base
RIV/00216224:14310/00:00000041 Proceedings paper. Physical chemistry and theoretical chemistry. Czech. Czech Republic.
Toušek, Jaromír (203 Czech Republic) -- Marek, Radek (203 Czech Republic, guarantor) -- Dostál, Jiří (203 Czech Republic) -- Sklenář, Vladimír (203 Czech Republic)
Keywords in English: Conformational Analysis; Quantum Chemical Calculations; sanguinarin free base
Changed by: doc. RNDr. Jiří Dostál, CSc., učo 1309. Changed: 23/6/2009 07:36.
Identification numbers: 3145320342
Name in Czech: Norsanguinarine-Quantum Chemical Calculations of the Chemical Shifts
Name (in English): Norsanguinarine-Quantum Chemical Calculations of the Chemical Shifts
RIV/00216224:14310/00:00002447 Article in a journal. Physical chemistry and theoretical chemistry. English. Czech Republic.
Toušek, Jaromír (203 Czech Republic) -- Marek, Radek (203 Czech Republic, guarantor) -- Dostál, Jiří (203 Czech Republic) -- Sklenář, Vladimír (203 Czech Republic)
Keywords in English: Norsanguinarine; Quantum Chemical Calculations
Changed by: doc. RNDr. Jiří Dostál, CSc., učo 1309. Changed: 23/6/2009 07:38.
Name in Czech: Quantum Chemical Calculations of the Chemical Shifts of Benzo[c]phenanthridine Alkaloids
Name (in English): Quantum Chemical Calculations of the Chemical Shifts of Benzo[c]phenanthridine Alkaloids
RIV/00216224:14310/99:00001251 Article in a journal. Physical chemistry and theoretical chemistry. English. Czech Republic.
Toušek, Jaromír (203 Czech Republic) -- Marek, Radek (203 Czech Republic, guarantor) -- Dostál, Jiří (203 Czech Republic) -- Dommisse, Roger (56 Belgium) -- Sklenář, Vladimír (203 Czech Republic)
Keywords in English: Quantum Chemical Calculations; Benzo[c]phenanthridine Alkaloids
Changed by: doc. RNDr. Jiří Dostál, CSc., učo 1309. Changed: 26/6/2009 06:54.