Collect. Czech. Chem. Commun.
1999, 64, 633-648
https://doi.org/10.1135/cccc19990633
Are 1,4-Dihydropyrazines Antiaromatic? Ab initio Study of 1,4-Dihydropyrazines and Their Tetrahydro Derivatives
Pavel Vlčeka, Zdeněk Havlasb,* and Zdeněk Pavlíčeka
a Department of Physical and Macromolecular Chemistry, Faculty of Science, Charles University, Hlavova 2030, 120 00 Prague 2, Czech Republic
b Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nám. 2, 166 10 Prague 6, Czech Republic
Individual author index pages
Other CCCC articles of these authors
- Martin Lepšík, Martin Srnec, Drahomír Hnyk, Bohumír Grüner, Jaromír Plešek, Zdeněk Havlas and Lubomír Rulíšek*
exo-Substituent effects in halogenated icosahedral (B12H122–) and octahedral (B6H62–) closo-borane skeletons: chemical reactivity studied by experimental and quantum chemical methods
2009, Vol. 74, Issue 1, pp. 1–27 [Abstract] - Rudolf Zahradník, Martin Srnec and Zdeněk Havlas*
Electronic Spectra of Conjugated Polyynes, Cumulenes and Related Systems: A Theoretical Study
2005, Vol. 70, Issue 5, pp. 559–578 [Abstract] - Daniel Svozil*, Pavel Jungwirth and Zdeněk Havlas
Electron Binding to Nucleic Acid Bases. Experimental and Theoretical Studies. A Review
2004, Vol. 69, Issue 7, pp. 1395–1428 [Abstract] - Zdeněk Havlas*, Mojmír Kývala and Josef Michl
Spin-Orbit Coupling in Biradicals. 4. Zero-Field Splitting in Triplet Nitrenes, Phosphinidenes, and Arsinidenes
2003, Vol. 68, Issue 12, pp. 2335–2343 [Abstract] - Zdeněk Havlas* and Hans Bock
Enhanced Long-Range Si···N Interactions in Organosilicon Cations. A Theoretical Study
2001, Vol. 66, Issue 3, pp. 473–482 [Abstract] - Josef Růžička, Ludvík Streinz*, David Šaman, Zdeněk Havlas, Zdeněk Wimmer, Marie Zarevúcka, Bohumír Koutek and Ladislav Lešetický
Chlorofluoroacetic Acid as a Highly Versatile Derivatizing Agent: Assignment of Stereochemistry to Esters of Chiral Alcohols
2000, Vol. 65, Issue 5, pp. 695–707 [Abstract] - Zdeněk Pavlíček* and Rüdiger Ettrich
Chaperone-Like Activity of Human Haptoglobin: Similarity with α-Crystallin
1999, Vol. 64, Issue 4, pp. 717–725 [Abstract] - Zdeněk Havlas and Josef Michl
Spin-Orbit Coupling in Biradicals. 3. Heavy Atom Effects in Carbenes
1998, Vol. 63, Issue 9, pp. 1485–1497 [Abstract] - Pavel Hobza and Zdeněk Havlas
Counterpoise-Corrected Potential Energy Surfaces of Simple Hydrogen-Bonded Systems
1998, Vol. 63, Issue 9, pp. 1343–1354 [Abstract] - Zdeněk Havlas and Hans Bock
Bare Molecular Anions of Unsaturated Hydrocarbons: Density Functional Charge and Spin Distributions Based on Their Single Crystal Structures
1998, Vol. 63, Issue 8, pp. 1245–1263 [Abstract] - Tomáš Obšil, Evžen Amler and Zdeněk Pavlíček
Aminophospholipid Glycation Causes Lipid Bilayer Structure Alterations and Inhibition of Membrane-Bound Na+,K+-ATPase
1998, Vol. 63, Issue 7, pp. 1060–1073 [Abstract] - Miroslav Štěpánek and Zdeněk Pavlíček
Glycation of Human Serum Albumin by DL-Glyceraldehyde: A Fluorescence Quenching Study
1997, Vol. 62, Issue 11, pp. 1815–1820 [Abstract] - Robert Zoulík, Zdeněk Pavlíček, Richard Tykva and Antonín Šenfeld
Chemiluminescence of Glycated Human Serum Albumin: Comparison with Synthetic Polymer
1997, Vol. 62, Issue 10, pp. 1650–1662 [Abstract] - Hubert Hřebabecký, Miloš Buděšínský, Milena Masojídková, Zdeněk Havlas and Antonín Holý
1-(3,5-O-Alkylidene-2-deoxy-4-C-hydroxymethyl-α-L-threo-pentofuranosyl)uracils
1997, Vol. 62, Issue 6, pp. 957–970 [Abstract] - Daniel Alexander, Petr Holý, Pavel Fiedler, Zdeněk Havlas and Jiří Závada
Symmetrical Tris(4,6-diamino-5-methylene-2-pyrimidones): New Building Blocks for Self-Assembly of Hollow Spherical Supramolecules Locked by Hydrogen Bonds
1996, Vol. 61, Issue 10, pp. 1464–1472 [Abstract] - Tomáš Obšil, Evžen Amler and Zdeněk Pavlíček
Effect of Enzymically Generated Electronic-Excited Species on Membrane-Bound Na+,K+-ATPase
1996, Vol. 61, Issue 1, pp. 160–170 [Abstract] - Robert Zoulík, Zdeněk Pavlíček, Jiří Vohlídal and Vladimír Šubr
Enzymatically Catalyzed Generation of Electronically Excited States in a Synthetic Copolymer with a Schiff Base in Pendant Groups
1995, Vol. 60, Issue 1, pp. 95–103 [Abstract] - Pavel Stopka, Zdeněk Pavlíček and Jana Lhotová
The Peroxidase Reaction of Human Methaemoglobin: Character of the Amino Acid Electrondonor and the Influence of Oxygen
1993, Vol. 58, Issue 11, pp. 2715–2719 [Abstract] - Jana Stejskalová, Pavel Stopka and Zdeněk Pavlíček
An ESR study of the peroxidase reaction catalyzed by human methaemoglobin and methaemoglobin-haptoglobin complex
1991, Vol. 56, Issue 4, pp. 923–932 [Abstract] - Zdeněk Pavlíček and Hana Hájková
Conversion of bilirubin by transfer of electronic excitation energy generated in the presence of human methemoglobin
1990, Vol. 55, Issue 4, pp. 1127–1131 [Abstract] - Hana Hájková and Zdeněk Pavlíček
Generation of electronically excited states by means of methemoglobin and methemoglobin-haptoglobin complex
1990, Vol. 55, Issue 4, pp. 1119–1126 [Abstract] - Rudolf Zahradník, Zdeněk Havlas, B. Andes Hess, Jr. and Pavel Hobza
Properties and reactivity of first and second row hydrides. Introductory remarks, isomerizations, and inversion barriers of the AH2, AH3, AH4 and related systems
1990, Vol. 55, Issue 4, pp. 869–889 [Abstract] - Helena Petrusová, Zdeněk Havlas, Pavel Hobza and Rudolf Zahradník
A theoretical study on acetylene dimer, acetylene-s-tetrazine and acetylene-benzene associates
1988, Vol. 53, Issue 11, pp. 2495–2502 [Abstract] - Petr Pracna and Zdeněk Havlas
Ab initio study of the anharmonic properties of dipole moment functions of ammonia and the oxonium ion
1988, Vol. 53, Issue 10, pp. 2175–2190 [Abstract] - František Tureček, Libor Brabec, Tomáš Vondrák, Vladimír Hanuš, Josef Hájíček and Zdeněk Havlas
Sulfenic acids in the gas phase. Preparation, ionization energies and heats of formation of methane-, ethene-, and benzenesulfenic acid
1988, Vol. 53, Issue 9, pp. 2140–2158 [Abstract] - Petr Kyselka, Zdeněk Havlas and Ivo Sláma
Ion solvation in mixed solvents. An ab initio study
1987, Vol. 52, Issue 1, pp. 14–21 [Abstract] - Petr Kyselka, Zdeněk Havlas and Ivo Sláma
Ion solvation by dipolar aprotic solvents. An ab initio study
1987, Vol. 52, Issue 1, pp. 6–13 [Abstract] - Hana Hájková, Zdeněk Pavlíček and Vítěz Kalous
Interaction of human hemoglobin with oxygen in the presence of benzene and use of computer for construction of saturation curves
1986, Vol. 51, Issue 8, pp. 1795–1801 [Abstract] - Hana Hájková, Zdeněk Pavlíček and Vítěz Kalous
Interaction of human hemoglobin with haptoglobin studied by the method of oxygen saturation curves
1986, Vol. 51, Issue 8, pp. 1789–1794 [Abstract] - Ivan Bašnák, Jiří Farkaš, Jaroslav Zajíček and Zdeněk Havlas
Synthesis of anomeric 5-cyclopropyl-2'-deoxyuridines and 1H NMR spectroscopic study of their conformation
1986, Vol. 51, Issue 8, pp. 1764–1771 [Abstract] - Petr Kyselka, Zdeněk Havlas and Ivo Sláma
Solvation of ions by dipolar aprotic solvents and water. A CNDO/2 study
1985, Vol. 50, Issue 11, pp. 2493–2508 [Abstract] - Pavel Sedláček, Zdeněk Pavlíček and Vítěz Kalous
A physico-chemical study of the interaction between human hemoglobin and benzene
1984, Vol. 49, Issue 8, pp. 1827–1834 [Abstract] - Barbora Dvořánková and Zdeněk Pavlíček
The conformational changes of haemoglobin on its binding to haptoglobin
1981, Vol. 46, Issue 5, pp. 1288–1295 [Abstract] - Vladimír Král, Zdeněk Arnold and Zdeněk Havlas
Semiempirical and ab initio study of the nature of the C-S bond in sulfonium ylides
1981, Vol. 46, Issue 4, pp. 883–891 [Abstract] - Zdeněk Havlas, Miroslava Synáčková, Hubert Hřebabecký, Jiří Farkaš and Jiří Beránek
NMR and quantum chemical study of empiric 2',3'-cyclic sulphites of nucleosides
1981, Vol. 46, Issue 2, pp. 400–408 [Abstract] - Zdeněk Havlas and Petr Maloň
Molecular geometries - Accuracy test of the PCILO method
1980, Vol. 45, Issue 2, pp. 321–329 [Abstract] - Zdeněk Havlas, Pavel Hobza and Rudolf Zahradník
An attempt to construct a hybrid intermolecular potential
1978, Vol. 43, Issue 5, pp. 1356–1365 [Abstract]