Materials Chemistry Department
Materials Chemistry Department
Подтвержден адрес электронной почты в домене - Главная страница
CASCCD: Coupled-cluster method with double excitations and the CAS reference
VV Ivanov, L Adamowicz
The Journal of Chemical Physics 112 (21), 9258-9268, 2000
New approach to the state-specific multireference coupled-cluster formalism
L Adamowicz, JP Malrieu, VV Ivanov
The Journal of Chemical Physics 112 (23), 10075-10084, 2000
Aggregation of rhodamine B in water
NO Mchedlov-Petrosyan, YV Kholin
Russian journal of applied chemistry 77 (3), 414-422, 2004
Gauge-invariant calculations of magnetic properties in semiempirical approaches. Application to full-CI π-electron scheme
AV Luzanov, EN Babich, VV Ivanov
Journal of Molecular Structure 311, 211-220, 1994
A generalization of the state-specific complete-active-space coupled-cluster method for calculating electronic excited states
DI Lyakh, VV Ivanov, L Adamowicz
The Journal of chemical physics 128 (7), 074101, 2008
Multireference state-specific coupled-cluster methods. State-of-the-art and perspectives
VV Ivanov, DI Lyakh, L Adamowicz
Physical Chemistry Chemical Physics 11 (14), 2355-2370, 2009
Synthesis and applications of functionalized silsesquioxane polymers attached to organic and inorganic matrices
Y Gushikem, EV Benvenutti, YV Kholin
Pure and Applied Chemistry 80 (7), 1593-1611, 2008
Synthesis, characterization and metal adsorption properties of the new ion exchanger polymer 3-n-propyl (4-methylpyridinium) silsesquioxane chloride
HA Magosso, AV Panteleimonov, YV Kholin, Y Gushikem
Journal of colloid and interface science 303 (1), 18-24, 2006
State-specific multireference complete-active-space coupled-cluster approach versus other quantum chemical methods: dissociation of the N2 molecule
DI Lyakh, VV Ivanov, L Adamowicz
Molecular Physics 105 (10), 1335-1357, 2007
Development of dimethyl sulfoxide solubility models using 163 000 molecules: using a domain applicability metric to select more reliable predictions
IV Tetko, S Novotarskyi, I Sushko, V Ivanov, AE Petrenko, R Dieden, ...
Journal of chemical information and modeling 53 (8), 1990-2000, 2013
Kinetics of emission spectra of multimode lasers and its influence on the sensitivity of intracavity laser spectroscopy
YM Aĭvazyan, VM Baev, VV Ivanov, SA Kovalenko, ÉA Sviridenkov
Soviet Journal of Quantum Electronics 17 (2), 168, 1987
Surface functionalization of SBA-15 and a nonordered mesoporous silica with a 1, 4-diazabicyclo [2.2. 2] octane derivative: Study of CuCl2 adsorption from ethanol solution
CM Maroneze, HA Magosso, AV Panteleimonov, YV Kholin, Y Gushikem
Journal of colloid and interface science 356 (1), 248-256, 2011
n-Propylpyridinium chloride-modified poly (dimethylsiloxane) elastomeric networks: preparation, characterization, and study of metal chloride adsorption from ethanol solutions
FL Pissetti, HA Magosso, IVP Yoshida, Y Gushikem, SO Myernyi, ...
Journal of colloid and interface science 314 (1), 38-45, 2007
Dissociation of the fluorine molecule: CASCCSD method and other many‐particle models
VV Ivanov, L Adamowicz, DI Lyakh
International journal of quantum chemistry 106 (14), 2875-2880, 2006
Computer-aided determination of the composition and stability of complex compounds in solutions with complicated equilibria
AA Bugaevsky, YV Kholin
Analytica chimica acta 249 (2), 353-365, 1991
Surface Modification with Phosphoric Acid of SiO2/Nb2O5 Prepared by the Sol−Gel Method:  Structural−Textural and Acid Sites Studies and an Ion Exchange …
MSP Francisco, WS Cardoso, Y Gushikem, R Landers, YV Kholin
Langmuir 20 (20), 8707-8714, 2004
Aluminum phosphate dispersed on a cellulose acetate fiber surface: Preparation, characterization and application for Li+, Na+ and K+ separation
AM Lazarin, CA Borgo, Y Gushikem, YV Kholin
Analytica chimica acta 477 (2), 305-313, 2003
Adsorption of metal halides from ethanol solutions by a 3-n-propylpyridiniumsilsesquioxane chloride-coated silica gel surface
RVS Alfaya, ST Fujiwara, Y Gushikem, YV Kholin
Journal of colloid and interface science 269 (1), 32-36, 2004
Excited states in the multireference state-specific coupled-cluster theory with the complete active space reference
VV Ivanov, L Adamowicz, DI Lyakh
The Journal of chemical physics 124 (18), 184302, 2006
Multireference State-specific Coupled Cluster Approach with the CAS Reference: Inserting Be into H2
DI Lyakh, VV Ivanov, L Adamowicz
Theoretical Chemistry Accounts 116 (4-5), 427-433, 2006
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