Search results for: physical chemistry
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JOURNAL OF PHYSICAL CHEMISTRY A
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PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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JOURNAL OF PHYSICAL CHEMISTRY B
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Journal of Physical Chemistry C
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Journal of Physical Chemistry Letters
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Physical Chemistry_GTM_20_21_winter
e-Learning CoursesThe aim of the subject is to familarize the student with fundamental physico-chemical laws in chemical thermodynamics, phase equilibria and chemical equilibria together with ability of solving relevant text problems involving calculations, as well as teachnig him/her effective and safe carrying out simple experiments/measurements of physico-chemical quantities and proper presentation and interpretation of their results. LECTURES Chemical...
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Physical Chemistry GT 2022/23 Summer
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Physical Chemistry GT 2022/23 Winter
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Physical Chemistry for Green Technologies summer 2021/22
e-Learning CoursesPhysical Chemistry subject for Green Technologies, Semester IV
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DOKLADY PHYSICAL CHEMISTRY
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Advances in Physical Chemistry
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Physical Chemistry Research
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Russian Journal of Physical Chemistry A
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Annual Review of Physical Chemistry
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INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY
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Protection of Metals and Physical Chemistry of Surfaces
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Elastic-contractile model proteins: Physical chemistry, protein function and drug design and delivery
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ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS
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Russian Journal of Physical Chemistry B
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Advances in Physical Organic Chemistry
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JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
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INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY
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Fragmentation of Tetrahydrofuran Molecules by H+, C+, and O+ Collisions at the Incident Energy Range of 25–1000 eV
PublicationWe have studied fragmentation processes of the gas-phase tetrahydrofuran (THF) molecules in collisions with the H+, C+, and O+ cations. The collision energies have been varied between 25 and 1000 eV and thus covered a velocity range from 10 to 440 km/s. The following excited neutral fragments of THF have been observed: the atomic hydrogen H(n), n = 4–9, carbon atoms in the 2p3s 1P1, 2p4p 1D2, and 2p4p 3P states and vibrationally...
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Valence and Ionic Lowest-Lying Electronic States of Isobutyl Formate Studied by High-Resolution Vacuum Ultraviolet Photoabsorption, Photoelectron Spectroscopy, and Ab Initio Calculations
PublicationThe highest resolution vacuum ultraviolet photoabsorption spectrum of isobutyl formate, C5H10O2, yet reported is presented over the energy range 4.5−10.7 eV (275.5−118.0 nm) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator...
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Photophysics of Ru(II) Dyads Derived from Pyrenyl-Substitued Imidazo[4,5-f][1,10]phenanthroline Ligands.
PublicationThe photophysics of a series of Ru(II) dyads based on the 2-(1-pyrenyl)-1H-imidazo[4,5-f][1,10]-phenanthroline ligand was investigated. The ability of these metal complexes to intercalate DNA and induce cell death upon photoactivation makes them attractive photosensitizers for a range of photobiological applications, including photodynamic therapy. In the present study, time-resolved transient absorption and emission spectroscopy...
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Photophysics of Untethered ZnTPP-Fullerene Complexes in Solution
PublicationThe spectroscopy and dynamic behavior of the self-assembled, Soret-excited zinc tetraphenylporphyrin (ZnTPP) plus fullerene (C60) model system in solution has been examined using steady state fluorescence quenching, nanosecond time-correlated single photon counting, picosecond fluorescence upconversion, and picosecond transient absorption methods. Evidence of ground state complexation is presented. Steady-state quenching of the...
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Theoretical study of polymerization mechanism of p-xylylene based polymers
PublicationObliczenia kwantowe mechanizmu polimeryzacji parylenów, opartych o cząsteczki p-ksylilenów. Praca zawiera wyniki szczegółowych obliczeń wszystkich etapów polimeryzacji, wnioski dotyczące znalezionych stanów kwantowych i energetyki poszczególnych etapów procesu.
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Hydration of aprotic donor solvents studied by means of FTIR spectroscopy
PublicationThe paper attempts to explain the mutual influence of nonpolar and electron-donor groups on solute hydration,the problem of big importance for biological aqueous systems. Aprotic organic solvents have been used asmodel solutes, differing in electron-donating power. Hydration of acetonitrile, acetone, 2-butanone, andtriethylamine has been studied by HDO and (partially) H2O spectra. The quantitative version of...
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Investigation of Protein Folding by Coarse-Grained Molecular Dynamics with the UNRES Force Field
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Charge Loss in Gas-Phase Multiply Negatively Charged Oligonucleotides
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Theoretical Study of Polymerization Mechanism of p-Xylylene Based Polymers
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Mechanism of a Four-Phase Liquid Membrane Oscillator Containing Hexadecyltrimethylammonium Bromide
PublicationBadano zachowanie nitrometanowego oscylatora z membraną ciekłą zawierającego kationowy surfaktant. Początkowo układ składał się z trzech faz: wodnej donorowej zawierającej surfaktant i etanol, membrany ciekłej (kwas pikrynowy w nitrometanie) oraz fazy wodnej akceptorowej zawierającej sacharozę. Podczas procesu oscylacyjnego wytwarzała się nowa fazą X między membraną ciekłą, a fazą akceptorową. Stwierdzono oscylacje różnicy potencjału...
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Hydroxide ion hydration in aqueous solutions
PublicationHydratacja anionu hydroksylowego w wodnych roztworach wybranych wodorotlenków metali alkalicznych została zbadana przy pomocy spektroskopii oscylacyjnej FTIR HDO izotopowo rozcieńczonej w H2O. Po raz pierwszy zastosowano do badań nad takimi układami ilościową wersję metody widm różnicowych. Pozwoliła ona na wyodrębnienie widma HDO zaburzonej przez substancję rozpuszczoną. Dane spektralne skonfrontowano z optymalnymi strukturami...
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Observation of the Hydrogen Migration in the Cation-Induced Fragmentation of the Pyridine Molecules
PublicationThe ability to selectively control chemical reactions related to biology, combustion, and catalysis has recently attracted much attention. In particular, the hydrogen atom relocation may be used to manipulate bond-breaking and new bond-forming processes and may hold promise for far-reaching applications. Thus, the hydrogen atom migration preceding fragmentation of the gas-phase pyridine molecules by the H+, H2+, He+, He2+, and...
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Ligand Design by Ionomers. ESR of MoV in Perfluorinated Ionomer Supports
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Catalysis on polymer supports: ESR of molybdenum (V) dispersed in poly(acrylic acid) matrices
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Two-Dimensional Spatial−Spectral ESR Imaging of Diffusion Based on Molybdenum(V)
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Excess Electron Attachment to Disulfide-Bridged l,l-Cystine. An ab Initio Study
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Negatively Charged Xanthine. I. Anions Formed by Canonical Isomers
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Temperature Dependence of the Dissociative Electron Attachment to 2-Thiothymine
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First Evidence of Rhombic (NaCl)2-. Ab Initio Reexamination of the Sodium Chloride Dimer Anion
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Coulomb-Assisted Dissociative Electron Attachment: Application to a Model Peptide
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Why Are SiX5– and GeX5– (X = F, Cl) Stable but Not CF5– and CCl5–?
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Inverse Potassium Hydride: A Theoretical Study
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Unusual and Conventional Dative Bond Formation by s2 Lone Pair Donation from Alkaline Earth Metal Atoms to BH3, AlH3, and GaH3
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Possible Formation of H3O+ Cations Due to Aluminum Fluoride Interactions with Water
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The Only Stable State of O2- Is the X 2Πg Ground State and It (Still!) Has an Adiabatic Electron Detachment Energy of 0.45 eV
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Negative Ion Formation in Sodium Chloride TrimerAn ab Initio Study
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Bound-Excited Electronic States of the Anion of 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane
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Simulating Electron Transfer Attachment to a Positively Charged Model Peptide
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