Pregled po CROSBI profilu: Mario Vazdar (CROSBI Profil: 23488, MBZ: 268682)
Pronađeno 119 radova
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76.Faraji, Shirin; Vazdar, Mario; Reddy, Sivaranjana V.; Eckert- Maksić, Mirjana; Lischka, Hans; Koeppel, HorstAb initio quantum dynamical study of the multi-state nonadiabatic photodissociation of pyrrole // The Journal of chemical physics, 135 (2011), 15; 154310, 13 doi:10.1063/1.3651536 (međunarodna recenzija, članak, znanstveni)
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77.Vazdar, Mario; Vymetal, Jiri; Heyda, Jan; Vondrasek, Jiri; Jungwirth, PavelLike-Charge Guanidinium Pairing from Molecular Dynamics and Ab Initio Calculations // Journal of Physical Chemistry. A, 115 (2011), 41; 11193-11201 doi:10.1021/jp203519p (međunarodna recenzija, članak, znanstveni)
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78.Škorić, Irena; Pavošević, Fabijan; Vazdar, Mario; Marinić, Željko; Šindler-Kulyk, Marija; Eckert-Maksić, Mirjana; Margetić, DavorThermal reaction of [3,4]-benzo-8-substituted-3Z,5Z,7E-octatetraenes and quantum-chemical study of the (8π,6π)-electrocyclisation // Organic & biomolecular chemistry, 9 (2011), 19; 6771-6778 doi:10.1039/c1ob05802a (međunarodna recenzija, članak, znanstveni)
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79.Eckert-Maksić, Mirjana; Vazdar, Mario; Ruckenbauer, Matthias; Barbatti, Mario; Müller, Thomas; Lischka, HansMatrix-Controlled Photofragmentation of Formamide: Dynamics Simulation in Argon by Nonadiabatic QM/MM Method // Physical Chemistry Chemical Physics, 12 (2010), 39; 12719-12726 doi:10.1039/C0CP00174K (međunarodna recenzija, članak, znanstveni)
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80.Eckert-Maksić, Mirjana; Antol, Ivana; Vazdar, Mario; Barbatti, Mario; Lischka, HansFormamide as the Model Compound for Photodissociation Studies of the Peptide Bond, Kinetics and Dynamics // Kinetics and Dynamics: From Nano- to Bio-Scale / Paneth, P. ; Dybala-Defratyka, A. (ur.)., 2010. str. 77-107 doi:10.1007/978-90-481-3034-4_3
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81.Glasovac, Zoran; Antol, Ivana; Vazdar, Mario; Margetić, DavorZwitterionic structures of strained cis-pyramidalised disilenes – Fact or artifact // Theoretical chemistry accounts, 124 (2009), 5-6; 421-430 doi:10.1007/s00214-009-0633-x (međunarodna recenzija, članak, znanstveni)
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82.Eckert-Maksić, Mirjana; Lischka, Hans; Maksić, Zvonimir B.; Vazdar, MarioThe Isomerization Barrier in Cyanocyclobutadienes: An ab Initio Multireference Average Quadratic Coupled Cluster Study // Journal of Physical Chemistry A, 113 (2009), 29; 8351-8358 doi:10.1021/jp9015273 (međunarodna recenzija, članak, znanstveni)
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83.Pavošević, Fabijan; Škorić, Irena; Margetić, Davor; Vazdar, Mario; Marinić, Željko; Eckert- Maksić, Mirjana; Šindler-Kulyk, MarijaTermičke (8pi, 6pi)-elektrociklizacije novih oktatetraenskih derivata : sinteza i kvantno kemijski računi // XXI. hrvatski skup kemičara i kemijskih inženjera : knjiga sažetaka = book of abstracts / Pičuljan, Katarina ; Smolec, S0nja (ur.).
Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI), 2009. str. 107-107 (poster, sažetak, znanstveni) -
84.Vazdar, Mario; Eckert-Maksić, Mirjana; Barbatti, Mario; Lischka, HansTheoretical investigation of the nonadiabatic deactivation of pyrrole // XXI. Hrvatski skup kemičara i kemijskih inženjera – Knjiga sažetaka / Novak, Predrag ; Pičuljan, Katarina ; Smolec, Sonja (ur.).
Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI), 2009. str. 182-182 (poster, sažetak, znanstveni) -
85.Vazdar, Mario; Eckert-Maksić, Mirjana; Barbatti, Mario; Lischka, HansExcited-state non-adiabatic dynamics simulations of pyrrole // Molecular physics, 107 (2009), 8-12; 845-854 doi:10.1080/00268970802665639 (međunarodna recenzija, članak, znanstveni)
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86.Glasovac, Zoran; Vazdar, Mario; Margetić, DavorProton affinities of didehydroporphyrin and subporphyrin in ground and excited states obtained by quantum chemical calculations // Croatica Chemica Acta, 82 (2009), 1; 63-70 (međunarodna recenzija, članak, znanstveni)
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87.Vazdar, MarioAb initio studij istezne izomerizacije ciklobutadiena i njegovih derivata, 2008., doktorska disertacija, Prirodoslovno-matematički fakultet, Zagreb
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88.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) -
89.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) -
90.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) -
91.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) -
92.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) -
93.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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94.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) -
95.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) -
96.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) -
97.Vazdar, Mario; Eckert-Maksić, Mirjana; Barbatti, Mario; Aquino, Adélia J. A.; Lischka, HansMehanizam neadijabatske deaktivacije pirola // XX. jubilarni hrvatski skup kemičara i kemijskih inženjera : Knjiga sažetaka / Vrsalović Presečki, Ana ; Findrik, Zvjezdana (ur.).
Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa, Hrvatsko kemijsko društvo, 2007. str. 160-160 (poster, domaća recenzija, sažetak, znanstveni) -
98.Barbatti, M.; Granucci, G.; Persico, M.; Ruckenbauer, M.; Vazdar, Mario; Eckert-Maksić, Mirjana; Lischka, H.The on-the-fly surface-hopping program system NEWTON-X: application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems // Journal of Photochemistry and Photobiology A, 190 (2007), 2-3; 228-240 (međunarodna recenzija, članak, znanstveni)
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99.Margetić, Davor; Eckert-Maksić, Mirjana; Antol, Ivana; Vazdar, MarioQuantum Chemical Study on the Effects of Incorporation of Silicon and Germanium Bridges on Pyramidalization of Olefinic Carbon Atoms in Sesquinorbornene Framework // Abstracts of the 12th International Congress of Quantum Chemistry
Kyoto, 2006. (poster, sažetak, znanstveni) -
100.Eckert-Maksić, Mirjana; Vazdar, Mario; Barbatti, Mario; Lischka, Hans; Maksić, Zvonimir B.Automerization of Cyclobutadiene and its Barrier Height-An Ab Initio Study // 3rd Meeting of the COST working group D26/0014/03 Intrinsic Reactivity of new Molecular Materials / Eckert-Maksić, Mirjana (ur.).
Zagreb: Institut Ruđer Bošković, 2006. (poster, sažetak, znanstveni)
