AAAAAA

   
Results: 1-25 | 26-50 | 51-66
Results: 1-25/66
COUNTERPOISE-CORRECTED POTENTIAL-ENERGY SURFACES OF SIMPLE H-BONDED SYSTEMS
Authors: HOBZA P HAVLAS Z
Citation: P. Hobza et Z. Havlas, COUNTERPOISE-CORRECTED POTENTIAL-ENERGY SURFACES OF SIMPLE H-BONDED SYSTEMS, Theoretical Chemistry accounts ( Theoretical Chemistry accounts (Print)), 99(6), 1998, pp. 372-377
NUCLEAR-DYNAMICS OF BENZENE(CENTER-DOT-CENTER-DOT-CENTER-DOT)(AR)(N) CLUSTERS
Authors: VACEK J HOBZA P JORTNER J
Citation: J. Vacek et al., NUCLEAR-DYNAMICS OF BENZENE(CENTER-DOT-CENTER-DOT-CENTER-DOT)(AR)(N) CLUSTERS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(43), 1998, pp. 8268-8278
URACIL DIMER - POTENTIAL-ENERGY AND FREE-ENERGY SURFACES - AB-INITIO BEYOND HARTREE-FOCK AND EMPIRICAL POTENTIAL STUDIES
Authors: KRATOCHVIL M ENGKVIST O SPONER J JUNGWIRTH P HOBZA P
Citation: M. Kratochvil et al., URACIL DIMER - POTENTIAL-ENERGY AND FREE-ENERGY SURFACES - AB-INITIO BEYOND HARTREE-FOCK AND EMPIRICAL POTENTIAL STUDIES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(35), 1998, pp. 6921-6926
INTERACTION BETWEEN THE GUANINE-CYTOSINE WATSON-CRICK DNA-BASE PAIR AND HYDRATED GROUP IIA (MG2-CATIONS(, CA2+, SR2+, BA2+) AND GROUP IIB (ZN2+, CD2+, HG2+) METAL)
Authors: SPONER J BURDA JV SABAT M LESZCZYNSKI J HOBZA P
Citation: J. Sponer et al., INTERACTION BETWEEN THE GUANINE-CYTOSINE WATSON-CRICK DNA-BASE PAIR AND HYDRATED GROUP IIA (MG2-CATIONS(, CA2+, SR2+, BA2+) AND GROUP IIB (ZN2+, CD2+, HG2+) METAL), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(29), 1998, pp. 5951-5957
ANTI-HYDROGEN BOND IN THE BENZENE DIMER AND OTHER CARBON PROTON DONORCOMPLEXES
Authors: HOBZA P SPIRKO V SELZLE HL SCHLAG EW
Citation: P. Hobza et al., ANTI-HYDROGEN BOND IN THE BENZENE DIMER AND OTHER CARBON PROTON DONORCOMPLEXES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(15), 1998, pp. 2501-2504
STABILIZATION OF THE PURINE-CENTER-DOT-PURINE-CENTER-DOT-PYRIMIDINE DNA-BASE TRIPLETS BY DIVALENT METAL-CATIONS
Authors: SPONER J SABAT M BURDA JV DOODY AM LESZCZYNSKI J HOBZA P
Citation: J. Sponer et al., STABILIZATION OF THE PURINE-CENTER-DOT-PURINE-CENTER-DOT-PYRIMIDINE DNA-BASE TRIPLETS BY DIVALENT METAL-CATIONS, Journal of biomolecular structure & dynamics, 16(1), 1998, pp. 139-143
ISOELECTRONIC DIMERS [(XH3)(2), (YH2)(2), (ZH)(2), AND (RG)(2)] IN THE GROUPS OF THE PERIODIC SYSTEM - AB-INITIO QUANTUM-CHEMICAL CALCULATIONS
Authors: HOBZA P BURDA JV ZAHRADNIK R
Citation: P. Hobza et al., ISOELECTRONIC DIMERS [(XH3)(2), (YH2)(2), (ZH)(2), AND (RG)(2)] IN THE GROUPS OF THE PERIODIC SYSTEM - AB-INITIO QUANTUM-CHEMICAL CALCULATIONS, Polish Journal of Chemistry, 72(7), 1998, pp. 1497-1504
COUNTERPOISE-CORRECTED POTENTIAL-ENERGY SURFACES OF SIMPLE HYDROGEN-BONDED SYSTEMS
Authors: HOBZA P HAVLAS Z
Citation: P. Hobza et Z. Havlas, COUNTERPOISE-CORRECTED POTENTIAL-ENERGY SURFACES OF SIMPLE HYDROGEN-BONDED SYSTEMS, Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1343-1354
SIGNIFICANT STRUCTURAL DEFORMATION OF NUCLEIC-ACID BASES IN STACKED BASE-PAIRS - AN AB-INITIO STUDY BEYOND HARTREE-FOCK
Authors: HOBZA P SPONER J
Citation: P. Hobza et J. Sponer, SIGNIFICANT STRUCTURAL DEFORMATION OF NUCLEIC-ACID BASES IN STACKED BASE-PAIRS - AN AB-INITIO STUDY BEYOND HARTREE-FOCK, Chemical physics letters, 288(1), 1998, pp. 7-14
(HX)(2) SPECIES (X = F THROUGH AT) IN THE GROUPS OF THE PERIODIC SYSTEM - MP2 AND CCSD(T) AB-INITIO QUANTUM-CHEMICAL CALCULATIONS
Authors: BURDA JV HOBZA P ZAHRADNIK R
Citation: Jv. Burda et al., (HX)(2) SPECIES (X = F THROUGH AT) IN THE GROUPS OF THE PERIODIC SYSTEM - MP2 AND CCSD(T) AB-INITIO QUANTUM-CHEMICAL CALCULATIONS, Chemical physics letters, 288(1), 1998, pp. 20-24
INTERACTION OF DNA-BASE PAIRS WITH VARIOUS METAL-CATIONS (MG2- NONEMPIRICAL AB-INITIO CALCULATIONS ON STRUCTURES, ENERGIES, AND NONADDITIVITY OF THE INTERACTION(, CA2+, SR2+, BA2+, CU+, AG+, AU+, ZN2+, CD2+, AND HG2+) )
Authors: BURDA JV SPONER J LESZCZYNSKI J HOBZA P
Citation: Jv. Burda et al., INTERACTION OF DNA-BASE PAIRS WITH VARIOUS METAL-CATIONS (MG2- NONEMPIRICAL AB-INITIO CALCULATIONS ON STRUCTURES, ENERGIES, AND NONADDITIVITY OF THE INTERACTION(, CA2+, SR2+, BA2+, CU+, AG+, AU+, ZN2+, CD2+, AND HG2+) ), JOURNAL OF PHYSICAL CHEMISTRY B, 101(46), 1997, pp. 9670-9677
ELECTRON-CORRELATED CALCULATIONS OF ELECTRIC PROPERTIES OF NUCLEIC-ACID BASES - COMMENT
Authors: HOBZA P SPONER J LESZCZYNSKI J
Citation: P. Hobza et al., ELECTRON-CORRELATED CALCULATIONS OF ELECTRIC PROPERTIES OF NUCLEIC-ACID BASES - COMMENT, JOURNAL OF PHYSICAL CHEMISTRY B, 101(40), 1997, pp. 8038-8039
PROPERTIES AND REACTIVITY IN GROUPS OF THE PERIODIC SYSTEM - ION-MOLECULE REACTIONS HX-DOT+) (X=F, CL, BR, I, AT)(HX(CENTER)
Authors: BURDA JV HOBZA P ZAHRADNIK R
Citation: Jv. Burda et al., PROPERTIES AND REACTIVITY IN GROUPS OF THE PERIODIC SYSTEM - ION-MOLECULE REACTIONS HX-DOT+) (X=F, CL, BR, I, AT)(HX(CENTER), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(6), 1997, pp. 1134-1139
THIOGUANINE AND THIOURACIL - HYDROGEN-BONDING AND STACKING PROPERTIES
Authors: SPONER J LESZCZYNSKI J HOBZA P
Citation: J. Sponer et al., THIOGUANINE AND THIOURACIL - HYDROGEN-BONDING AND STACKING PROPERTIES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(49), 1997, pp. 9489-9495
HYDROGEN-BONDED TRIMERS OF DNA BASES AND THEIR INTERACTION WITH METAL-CATIONS - AB-INITIO QUANTUM-CHEMICAL AND EMPIRICAL POTENTIAL STUDY
Authors: SPONER J BURDA JV MEJZLIK P LESZCZYNSKI J HOBZA P
Citation: J. Sponer et al., HYDROGEN-BONDED TRIMERS OF DNA BASES AND THEIR INTERACTION WITH METAL-CATIONS - AB-INITIO QUANTUM-CHEMICAL AND EMPIRICAL POTENTIAL STUDY, Journal of biomolecular structure & dynamics, 14(5), 1997, pp. 613-628
PERFORMANCE OF EMPIRICAL POTENTIALS (AMBER, CFF95, CVFF, CHARMM, OPLS, POLTEV), SEMIEMPIRICAL QUANTUM-CHEMICAL METHODS (AM1, MNDO M, PM3), AND AB-INITIO HARTREE-FOCK METHOD FOR INTERACTION OF DNA BASES - COMPARISON WITH NONEMPIRICAL BEYOND HARTREE-FOCK RESULTS/
Authors: HOBZA P KABELAC M SPONER J MEJZLIK P VONDRASEK J
Citation: P. Hobza et al., PERFORMANCE OF EMPIRICAL POTENTIALS (AMBER, CFF95, CVFF, CHARMM, OPLS, POLTEV), SEMIEMPIRICAL QUANTUM-CHEMICAL METHODS (AM1, MNDO M, PM3), AND AB-INITIO HARTREE-FOCK METHOD FOR INTERACTION OF DNA BASES - COMPARISON WITH NONEMPIRICAL BEYOND HARTREE-FOCK RESULTS/, Journal of computational chemistry, 18(9), 1997, pp. 1136-1150
ANHARMONIC AND HARMONIC INTERMOLECULAR VIBRATIONAL-MODES OF THE DNA-BASE PAIRS
Authors: SPIRKO V SPONER J HOBZA P
Citation: V. Spirko et al., ANHARMONIC AND HARMONIC INTERMOLECULAR VIBRATIONAL-MODES OF THE DNA-BASE PAIRS, The Journal of chemical physics, 106(4), 1997, pp. 1472-1479
MP2 AND CCSD(T) STUDY ON HYDROGEN-BONDING, AROMATIC STACKING AND NONAROMATIC STACKING
Authors: SPONER J HOBZA P
Citation: J. Sponer et P. Hobza, MP2 AND CCSD(T) STUDY ON HYDROGEN-BONDING, AROMATIC STACKING AND NONAROMATIC STACKING, Chemical physics letters, 267(3-4), 1997, pp. 263-270
BASE-BASE AND DEOXYRIBOSE-BASE STACKING INTERACTIONS IN B-DNA AND Z-DNA - A QUANTUM-CHEMICAL STUDY
Authors: SPONER J GABB HA LESZCZYNSKI J HOBZA P
Citation: J. Sponer et al., BASE-BASE AND DEOXYRIBOSE-BASE STACKING INTERACTIONS IN B-DNA AND Z-DNA - A QUANTUM-CHEMICAL STUDY, Biophysical journal, 73(1), 1997, pp. 76-87
HYDROGEN-BONDING AND STACKING OF DNA BASES - A REVIEW OF QUANTUM-CHEMICAL AB-INITIO STUDIES
Authors: SPONER J LESZCZYNSKI J HOBZA P
Citation: J. Sponer et al., HYDROGEN-BONDING AND STACKING OF DNA BASES - A REVIEW OF QUANTUM-CHEMICAL AB-INITIO STUDIES, Journal of biomolecular structure & dynamics, 14(1), 1996, pp. 117-135
NONPLANAR DNA-BASE PAIRS
Authors: SPONER J FLORIAN J HOBZA P LESZCZYNSKI J
Citation: J. Sponer et al., NONPLANAR DNA-BASE PAIRS, Journal of biomolecular structure & dynamics, 13(5), 1996, pp. 827-833
BASE STACKING AND HYDROGEN-BONDING IN PROTONATED CYTOSINE DIMER - THEROLE OF MOLECULAR ION-DIPOLE AND INDUCTION INTERACTIONS
Authors: SPONER J LESZCZYNSKI J VETTERL V HOBZA P
Citation: J. Sponer et al., BASE STACKING AND HYDROGEN-BONDING IN PROTONATED CYTOSINE DIMER - THEROLE OF MOLECULAR ION-DIPOLE AND INDUCTION INTERACTIONS, Journal of biomolecular structure & dynamics, 13(4), 1996, pp. 695-706
NONEMPIRICAL AB-INITIO CALCULATIONS ON DNA-BASE PAIRS
Authors: SPONER J HOBZA P
Citation: J. Sponer et P. Hobza, NONEMPIRICAL AB-INITIO CALCULATIONS ON DNA-BASE PAIRS, Chemical physics, 204(2-3), 1996, pp. 365-372
BASE STACKING IN CYTOSINE DIMER - A COMPARISON OF CORRELATED AB-INITIO CALCULATIONS WITH 3 EMPIRICAL POTENTIAL MODELS AND DENSITY-FUNCTIONAL THEORY CALCULATIONS
Authors: SPONER J LESZCZYNSKI J HOBZA P
Citation: J. Sponer et al., BASE STACKING IN CYTOSINE DIMER - A COMPARISON OF CORRELATED AB-INITIO CALCULATIONS WITH 3 EMPIRICAL POTENTIAL MODELS AND DENSITY-FUNCTIONAL THEORY CALCULATIONS, Journal of computational chemistry, 17(7), 1996, pp. 841-850
MP2 AND CCSD(T) CALCULATIONS ON H-BONDED AND STACKED RMAMIDE-CENTER-DOT-CENTER-DOT-CENTER-DOT-FORMAMIDE AND IDINE-CENTER-DOT-CENTER-DOT-CENTER-DOT-FORMAMIDINE DIMERS
Authors: HOBZA P SPONER J
Citation: P. Hobza et J. Sponer, MP2 AND CCSD(T) CALCULATIONS ON H-BONDED AND STACKED RMAMIDE-CENTER-DOT-CENTER-DOT-CENTER-DOT-FORMAMIDE AND IDINE-CENTER-DOT-CENTER-DOT-CENTER-DOT-FORMAMIDINE DIMERS, Journal of molecular structure. Theochem, 388, 1996, pp. 115-120
Risultati: 1-25 | 26-50 | 51-66