Collect. Czech. Chem. Commun.
2003, 68, 2335-2343
https://doi.org/10.1135/cccc20032335
Spin-Orbit Coupling in Biradicals. 4. Zero-Field Splitting in Triplet Nitrenes, Phosphinidenes, and Arsinidenes
Zdeněk Havlasa,*, Mojmír Kývalaa and Josef Michlb
a Institute of Organic Chemistry and Biochemistry, Academy of Sciences of Czech Republic, and Centre for Complex Molecular Systems and Biomolecules, 166 10 Prague 6, Czech Republic
b J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, 182 23 Prague 8, Czech Republic
Individual author index pages
Other CCCC articles of these authors
- Matthew K. MacLeod and Josef Michl*
Why do disilanes fail to fluoresce?
2011, Vol. 76, Issue 12, pp. 2085–2116 [Abstract] - 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] - Libor Veis, Petr Čársky, Jiří Pittner and Josef Michl*
Coupled Cluster Study of Polycyclopentanes: Structure and Properties of C5H2n, n = 0-4
2008, Vol. 73, Issue 11, pp. 1525–1551 [Abstract] - Douglas C. Caskey, Bing Wang, Xiaolai Zheng and Josef Michl*
Self-Assembled Trigonal Prismatic Altitudinal Rotors with Triptycene Paddle Wheels
2005, Vol. 70, Issue 11, pp. 1970–1985 [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] - Pawel Rempala and Josef Michl*
A Proposed Mechanism of [closo-CB11H12]- Formation by Dichlorocarbene Insertion Into [nido-B11H14]-. A Computational Study by Density Functional Theory
2003, Vol. 68, Issue 3, pp. 644–662 [Abstract] - Zbyněk Janoušek, Cameron L. Hilton, Peter J. Schreiber and Josef Michl*
C-Halogenation of the closo-[CB11H12]- Anion
2002, Vol. 67, Issue 7, pp. 1025–1034 [Abstract] - Andreas Franken, Benjamin T. King, Jens Rudolph, Photon Rao, Bruce C. Noll and Josef Michl*
Preparation of [closo-CB11H12]- by Dichlorocarbene Insertion Into [nido-B11H14]-
2001, Vol. 66, Issue 8, pp. 1238–1249 [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] - Benjamin T. King, Bruce C. Noll and Josef Michl*
Cation-π Interactions in the Solid State: Crystal Structures of M+(benzene)2CB11Me12- (M = Tl, Cs, Rb, K, Na) and Li+(toluene)CB11Me12-
1999, Vol. 64, Issue 6, pp. 1001–1012 [Abstract] - Pavel Vlček, Zdeněk Havlas* and Zdeněk Pavlíček
Are 1,4-Dihydropyrazines Antiaromatic? Ab initio Study of 1,4-Dihydropyrazines and Their Tetrahydro Derivatives
1999, Vol. 64, Issue 4, pp. 633–648 [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] - 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] - Tomasz Janecki, Shu Shi, Piotr Kaszynski and Josef Michl
[n]Staffanes with Terminal Nitrile and Isonitrile Functionalities and Their Metal Complexes
1993, Vol. 58, Issue 1, pp. 89–104 [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] - Parvathi S. Murthy and Josef Michl
Conformational analysis by infrared linear dichroism of solutes in stretched polyethylene: The twist angle in biphenyl and 4,4'-dibromobiphenyl
1988, Vol. 53, Issue 10, pp. 2366–2376 [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] - 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] - 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]