Pregled po projektu: Organski i bioorganski procesi u osnovnom i elektronski pobuđenim stanjima (MB: MZOS-098-0982933-2920)
Pronađeno 135 radova
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101.Eckert-Maksić, Mirjana; Antol, Ivana; Vazdar, Mario; Barbatti, Mario; Lischka, HansPhotochemistry of formamide and its protonated forms – An ab initio surface hopping dynamics simulations // 7th European Conference on Computational Chemistry : Book of abstracts / Polimeno, Antonino ; Casarin, Maurizio ; Olivucci, Massimo ; Laganá, Antonio (ur.).
Venecija: Universita degli studi di Padova, 2008. str. 105-106 (poster, međunarodna recenzija, sažetak, znanstveni) -
102.Vazdar, Mario; Eckert-Maksić, Mirjana; Barbatti, Mario Barbatti; Aquino, Adélia J. A. Aquino, Lischka, HansThe mechanism of the nonadiabatic deactivation of pyrrole // Abstracts of the Central European Symposium on Theoretical Chemistry 2008 : CESTC 2008 / Čarsky, Petr (ur.).
Prag, 2008. str. 50-51 (poster, sažetak, znanstveni) -
103.Tintaru, Aura; Roithová, Jana; Schröder, Detlef; Charles, Laurence; Jušinski, Iva; Glasovac, Zoran; Eckert-Maksić, MirjanaGeneration and dissociation pathways of singly and doubly protonated bisguanidines in the gas phase // Journal of Physical Chemistry A, 112 (2008), 47; 12097-12103 doi:10.1021/jp805897f (međunarodna recenzija, članak, znanstveni)
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104.Eckert-Maksić, Mirjana; Glasovac, Zoran; Trošelj, Pavle; Kütt, Agnes; Rodima, Toomas; Koppel, Ivar; Koppel, Ilmar A.Basicity of guanidines with heteroalkyl side chains in acetonitrile // European Journal of Organic Chemistry, 2008 (2008), 30; 5176-5184 doi:10.1002/ejoc.200800673 (međunarodna recenzija, članak, znanstveni)
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105.Antol, Ivana; Eckert-Maksić, Mirjana; Ončák, Milan; Slavíček, Petr; Lischka, HansPhotodissociation pathways of acetone upon excitation into the 3s Rydberg state: adiabatic versus diabatic mechanism // Collection of Czechoslovak chemical communications, 73 (2008), 11; 1475-1494 doi:10.1135/cccc20081475 (međunarodna recenzija, članak, znanstveni)
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106.Eckert-Maksić, Mirjana; Glasovac, ZoranCatalytic activity of novel N, N', N"-trisubstituted guanidine derivatives // International Symposium on Homogeneous Catalysis XVI : ISCH-XVI : Abstracts / Bianchini, Claudio (ur.).
Firenza : München, 2008. str. P114-P114 (poster, međunarodna recenzija, sažetak, znanstveni) -
107.Glasovac, Zoran; Eckert-Maksić, MirjanaAIM and NBO analysis of the intramolecular hydrogen bond in guanidine derivatives // 19th IUPAC Conference on Physical Organic Chemistry : Abstracts / Leis, José R. ; García-Río, Luís ; Santaballa, Arturo ; Canle, Moisés ; Mejuto, Juan C. (ur.).
Santiago de Compostela: The Royal University of Santiago de Compostela, 2008. str. 215-215 (poster, međunarodna recenzija, sažetak, znanstveni) -
108.Eckert-Maksić, Mirjana; Antol, Ivana; Vazdar, Mario; Barbatti, Mario; Lischka, HansDynamic simulations of photodissociations of formamide and its protonated form in the gas phase // Book of Abstracts of the 19th IUPAC Conference on Physical Organic Chemistry / Leis, José R. ; García-Río, Luís ; Santaballa, Arturo ; Canle, Moisés ; Mejuto, Juan C. (ur.).
Santiago de Compostela: The Royal University of Santiago de Compostela, 2008. str. 74-74 (predavanje, međunarodna recenzija, sažetak, znanstveni) -
109.Antol, Ivana; Vazdar, Mario; Barbatti, Mario; Eckert-Maksić, MirjanaAn ab initio surface hopping dynamics study on the photodeactivation processes in protonated formamide // Electron correlation and molecular dynamics for excited states and photochemistry Symposium in honor of Hans Lischka´s 65th birthday : Book of Abstracts / Aquino, A. J. Adélia (ur.).
Beč: Erwin Schrödinger Institute (ESI), 2008. str. 34-34 (poster, međunarodna recenzija, sažetak, znanstveni) -
110.Vazdar, Mario; Barbatti, Mario; Aquino, Adélia J. A.; Eckert-Maksić, Mirjana; Lischka, HansThe nonadiabatic deactivation paths of pyrrole // Electron correlation and molecular dynamics for excited states and photochemistry Symposium in honor of Hans Lischka´s 65th birthday : Abstracts / Aquino, A. J. Adélia ; (ur.).
Beč: Erwin Schrödinger Institute (ESI), 2008. str. 35-35 (poster, međunarodna recenzija, sažetak, znanstveni) -
111.Antol, Ivana; Vazdar, Mario; Barbatti, Mario; Eckert-Maksić, MirjanaThe effect of protonation on the photodissociation processes in formamide – an ab initio surface hopping dynamics study // Chemical physics, 349 (2008), 1-3; 308-318 doi:10.1016/j.chemphys.2008.01.026 (međunarodna recenzija, članak, znanstveni)
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112.Glasovac, Zoran; Štrukil, Vjekoslav; Eckert- Maksić, Mirjana; Schröder, Detlef; Kaczorowska, Malgorzata; Schwarz, HelmutGas-phase proton affinities of guanidines with heteroalkyl side chains // International journal of mass spectrometry, 270 (2008), 1-2; 39-46 doi:10.1016/j.ijms.2007.11.008 (međunarodna recenzija, članak, znanstveni)
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113.Antol, Ivana; Barbatti, Mario; Eckert-Maksić, Mirjana; Lischka, HansQuantum chemical calculations of electronically excited states: formamide, its protonated form and alkali cation complexes as case studies // Monatshefte für Chemie, 139 (2008), 4; 319-328 doi:10.1007/s00706-007-0803-2 (međunarodna recenzija, članak, znanstveni)
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114.Vazdar, Mario; Eckert-Maksić, Mirjana; Lischka, Hans; Maksić, Zvonimir B.The Izomerization Barrier in Cyanocyclobutadienes - An ab initio MR-AQCC Study // Central European Symposium on Theoretical Chemistry 2007
Litschau, Austrija, 2007. str. 23-24 (predavanje, sažetak, znanstveni) -
115.Margetić, Davor; Trošelj, PavleComputational study on pyrrolo-guanidines // The eleventh electronic computational chemistry conference (ECCC-11) / Robert Q. Topper (ur.).
Lahti, 2007. (poster, međunarodna recenzija, cjeloviti rad (in extenso), znanstveni) -
116.Glasovac, Zoran; Vazdar, Mario; Eckert-Maksić, Mirjana; Margetić, DavorProton affinities of dehydroporphyrin and subporphyrin in ground and excited states obtained by high level computations // Abstracts of the eleventh electronic computational chemistry conference : ECCC-11 / Topper, Robert Q. ; Dmitrenko, Olga (ur.).
elektronska konferencija, 2007. (poster, međunarodna recenzija, sažetak, znanstveni) -
117.Margetić, Davor; Eckert-Maksić, Mirjana; Murata, Yasujiro; Komatsu, Koichi; Milić, Dalibor; Matković-Čalogović, Dubravka; Prugovečki, Biserka; Đilović, IvicaExperimental and Computational Investigation of Double Bond Pyramidalization in 7-sila and 7-germanorbornenes // XX. jubilarni hrvatski skup kemičara i kemijskih inženjera : knjiga sažetaka
Zagreb, 2007. str. 161-161 (poster, međunarodna recenzija, sažetak, znanstveni) -
118.Margetić, Davor; Eckert-Maksić, Mirjana; Komatsu, Koichi; Murata, YasujiroDouble Bond Pyramidalization In 7-Sila- And 7-Germanorbornenes: An Experimental And Computational Investigation // Abstracts of the 14th IUPAC International Symposium on Organometallic Chemistry Directed Towards Organic Synthesis : OMCOS 14
Nara, 2007. (poster, međunarodna recenzija, sažetak, znanstveni) -
119.Antol, Ivana; Eckert-Maksić, Mirjana; Barbatti, Mario; Lischka, HansSimulation of the photodeactivation of formamide in the n(O)-pi* and pi-pi* states: an ab initio on-the-fly surface-hopping dynamics study // The Journal of chemical physics, 127 (2007), 23; 234303, 8 doi:10.1063/1.2804862 (međunarodna recenzija, članak, znanstveni)
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120.Eckert-Maksić, Mirjana; Antol, Ivana; Vazdar, MarioComparison of TD-DFT and MRCI calculated vertical excitation energies for formamide and its cationized forms // 12th International Conference on the Applications of Density Functional Method in Physics and Chemistry : Programme and Abstractbook / Baerends, Evert Jan (ur.).
Amsterdam: HRMC Congresorganisatie, 2007. str. 123-123 (poster, međunarodna recenzija, sažetak, znanstveni) -
121.Antol, Ivana; Barbatti, Mario; Eckert-Maksić, Mirjana; Lischka, HansTheoretical study of formamide photodissociation using an ab initio on-the-fly surface-hopping approach // Femtochemistry and Femtobiology 8 : Book of Abstracts / Clary, David (ur.).
Oxford: Magdalen College, 2007. str. 40-40 (poster, međunarodna recenzija, sažetak, znanstveni) -
122.Glasovac, Zoran; Štrukil, Vjekoslav; Eckert-Maksić, Mirjana; Schroeder, Detlef; Kaczorowska, Malgorzata; Schwarz, HelmutInfluence of Intramolecular Hydrogen Bond on the Gas-phase Proton Affinity of Guanidines // The 15th European Symposium on Organic Chemistry : Abstracts / Guiry, Pat ; Mooney, Ann (ur.).
Dublin: University Colledge Dublin, 2007. str. 174-174 (poster, međunarodna recenzija, sažetak, znanstveni) -
123.Trošelj, Pavle; Zrinski-Antonac, Irena; Margetić, Davor; Eckert-Maksić, MirjanaDimethyl carbonate reactions under microwave irradiation // 11th European Symposium on Organic Reactivity - Book of Abstracts / Concalves, Pedro M. L. ; Lurdes Cristiano, Maria S. (ur.).
Faro: Digitalinvest, Lda, 2007. (poster, međunarodna recenzija, sažetak, znanstveni) -
124.Štrukil, Vjekoslav; Glasovac, Zoran; Eckert-Maksić, MirjanaComputational study of triguanide cyclization // 11th European Symposium on Organic Reactivity : ESOR : Book of Abstracts / Concalves, Pedro M. L. ; Lurdes Cristiano, Maria S. (ur.).
Faro: Digitalinvest, Lda, 2007. str. 207-207 (poster, međunarodna recenzija, sažetak, znanstveni) -
125.Eckert-Maksić, Mirjana; Glasovac, Zoran; Strukil, VjekoslavGuanidines - from Theory to Synthesis and Applications // 50th Anniversary meeting Challenges in Organic Chemistry & Eight Tetrahedron Symposium : Abstracts / Waldmann, Herbert (ur.).
Berlin: Elsevier, 2007. str. P3.139-P3.139 (poster, međunarodna recenzija, sažetak, znanstveni)
