G. Theodorakopoulos

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Theoretical investigation of the complexation of crown ethers and crown ethers of fulleropyrrolidine with (CH3)(x)NH+(4-x), x = 0-4.

Demeter Tzeli, I. Petsalakis, G. Theodorakopoulos, 2011, Physical chemistry chemical physics : PCCP.

Electronic states and radiative transitions in LiAr

R. Buenker, I. Petsalakis, G. Theodorakopoulos, 1994 .

An estimate of the lifetime of excited tetrahydrogen

A. Metropoulos, I. Petsalakis, G. Theodorakopoulos, 1989 .

Theoretical study of fulleropyrrolidines by density functional and time-dependent density functional theory

I. Petsalakis, G. Theodorakopoulos, N. Tagmatarchis, 2007 .

All-organic sulfonium salts acting as efficient solution processed electron injection layer for PLEDs.

V. Constantoudis, A. Karantonis, M. Vasilopoulou, 2013, ACS applied materials & interfaces.

The Rydberg states of FH2

I. Hamilton, James S. Wright, I. Petsalakis, 1988 .

Theoretical investigation involving electronic and vibrational calculations of the 2 2A1(3p)→1 2B2(3p) and the 3 2A1(4s)→1 2B2(3p) transitions in FH2 and FD2

I. Hamilton, James S. Wright, I. Petsalakis, 1988 .

The solvent effect on a styryl‐bodipy derivative functioning as an AND molecular logic gate

Demeter Tzeli, I. Petsalakis, G. Theodorakopoulos, 2020 .

Boronic acid sensors for saccharides: A theoretical study

I. Petsalakis, G. Theodorakopoulos, 2013 .

Functionalized Zinc Porphyrins with Various Peripheral Groups for Interfacial Electron Injection Barrier Control in Organic Light Emitting Diodes

D. Alexandropoulos, A. Coutsolelos, M. Fakis, 2018, ACS omega.

A DFT Study of Adsorption of Gallium and Gallium Nitrides on Si(111)

Demeter Tzeli, I. Petsalakis, G. Theodorakopoulos, 2008 .

Theoretical study on perylene derivatives as fluorescent sensors for amines

Ioannis S. K. Kerkines, N. Lathiotakis, I. Petsalakis, 2018 .

Theoretical study on the electronic structure, formation and absorption spectra of lithium, sodium and potassium complexes of N-confused tetraphenylporphyrin

Demeter Tzeli, I. Petsalakis, G. Theodorakopoulos, 2013 .

A Theoretical Study of Complexes of Crown Ethers with Substituted Ammonium Cations

Demeter Tzeli, I. Petsalakis, G. Theodorakopoulos, 2012 .

Computational insight into the electronic structure and absorption spectra of lithium complexes of N-confused tetraphenylporphyrin.

Demeter Tzeli, I. Petsalakis, G. Theodorakopoulos, 2011, The journal of physical chemistry. A.

Electronic structure and absorption spectra of supramolecular complexes of a fullerene crown ether with a π-extended TTF derivative.

Demeter Tzeli, I. Petsalakis, G. Theodorakopoulos, 2011, Physical chemistry chemical physics : PCCP.

The ab initio potential energy surface and vibrational-rotational energy levels of X 2Σ+ MgOH

S. Carter, K. Peterson, G. Theodorakopoulos, 2002 .

Electronic structure and spectra of (Cu2O)(n)-H2O complexes.

J. Whitten, I. Petsalakis, G. Theodorakopoulos, 2015, Physical chemistry chemical physics : PCCP.

Encapsulation of monomers, homodimers and heterodimers of amides and carboxylic acids in three non-covalent assemblies

J. Rebek, Demeter Tzeli, I. Petsalakis, 2015, Structural Chemistry.

Tailoring the spacer type and length in push–pull chromophores. Insights from a systematic theoretical study

Ioannis S. K. Kerkines, N. Lathiotakis, I. Petsalakis, 2016 .

Amplified halogen bonding in a small space.

J. Rebek, I. Petsalakis, G. Theodorakopoulos, 2013, Journal of the American Chemical Society.

Chalcogen Bonding and Hydrophobic Effects Force Molecules into Small Spaces.

J. Rebek, P. Ballester, F. Rahman, 2020, Journal of the American Chemical Society.

The effects of hexafluoroisopropanol on guest binding by water-soluble capsule and cavitand hosts.

J. Rebek, I. Petsalakis, G. Theodorakopoulos, 2015, Chemical communications.

Ab initio calculations on the ground and excited states of BeOH and MgOH

I. Hamilton, I. Petsalakis, G. Theodorakopoulos, 1999 .

Ab initio calculations on electronic states of CaOH

H. Liebermann, R. Buenker, I. Petsalakis, 2002 .

Theoretical investigation of the character of the electronic states of H2O along a linear dissociation path leading to OH + H

R. Buenker, I. Petsalakis, G. Theodorakopoulos, 1987 .

MRD CI calculations on the asymmetric stretch potentials of H2O in the ground and the first seven singlet excited states

R. Buenker, I. Petsalakis, G. Theodorakopoulos, 1985 .

Potential energy surfaces for the photodissociation H2O→O(1Dg + H2(X1Σ+g)

S. Peyerimhoff, R. Buenker, G. Theodorakopoulos, 1982 .

Theoretical calculations on the potential energy curves of electronic states of CF: Rydberg states of CF above the lowest ionization limit

I. Petsalakis, G. Theodorakopoulos, 2011 .

Predissociation resonances from the complex eigenvalue Schrodinger equation

I. Petsalakis, G. Theodorakopoulos, C. Nicolaides, 1990 .

Fluorescence properties of organic dyes: quantum chemical studies on the green/blue neutral and protonated DMA-DPH emitters in polymer matrices.

Ioannis S. K. Kerkines, I. Petsalakis, G. Theodorakopoulos, 2011, Physical chemistry chemical physics : PCCP.

Triphenylamine-based receptors in selective recognition of dicarboxylic acids.

R. Fröhlich, K. Ghosh, I. Petsalakis, 2009, The journal of physical chemistry. B.

Theoretical study on the electronic structure of triphenyl sulfonium salts: Electronic excitation and electron transfer processes

N. Lathiotakis, M. Vasilopoulou, I. Petsalakis, 2014 .

Molecular orbital assistance in the design of intramolecular and photoinduced electron transfer systems

I. Petsalakis, G. Theodorakopoulos, 2012 .

Photoinduced charge transfer in fullerene–donor dyads: A theoretical study

I. Petsalakis, G. Theodorakopoulos, 2008 .

Vertical proton affinities of CH2O and CH2OH+ in their ground singlet, excited triplet and ionized doublet states

M. Robb, I. Csizmadia, G. Theodorakopoulos, 1978 .

Theory of chemical reactions of vibronically excited H2 (B 1Σ+u). III. Formation of bound excited states of the (H2)2, (H2)3, and (H2)5 clusters

I. Petsalakis, G. Theodorakopoulos, C. Nicolaides, 1984 .

Bending potentials for H2O in the ground and the first six singlet excited states

S. Peyerimhoff, R. Buenker, I. Petsalakis, 1984 .

Theoretical Study of Adsorption of Group IIIA Nitrides on Si(111)

Demeter Tzeli, I. Petsalakis, G. Theodorakopoulos, 2009 .

Theoretical study on tertiary amine-fluorophore photoinduced electron transfer (PET) systems

N. Lathiotakis, I. Petsalakis, G. Theodorakopoulos, 2008 .

Adiabatic and quasidiabatic 2Σ+ states of BeH

I. Petsalakis, G. Theodorakopoulos, C. Nicolaides, 1992 .

Theoretical ab initio study of the electronic states of KrH and KrH+: Quantum defect and complex coordinate calculations on the Rydberg states of KrH

R. Buenker, I. Petsalakis, G. Theodorakopoulos, 2003 .

Theoretical study on the Rydberg states of NeH: Ab initio quantum defect and complex coordinate calculations

R. Buenker, I. Petsalakis, G. Theodorakopoulos, 1998 .

Ion-pair and Rydberg states of ArH

I. Petsalakis, G. Theodorakopoulos, 1994 .

Theoretical calculations of the Rydberg spectra of ArH

R. Buenker, I. Petsalakis, G. Theodorakopoulos, 1990 .

Cavitands as Containers for α,ω-Dienes and Chaperones for Olefin Metathesis.

J. Rebek, I. Petsalakis, G. Theodorakopoulos, 2018, Angewandte Chemie.

Theoretical Study of Adsorption and Diffusion of Group IIIA Metals on Si(111)

Demeter Tzeli, I. Petsalakis, G. Theodorakopoulos, 2009 .

Theoretical investigation of the ground and low-lying excited states of gallium and indium silicides, GaSi and InSi.

Demeter Tzeli, I. Petsalakis, G. Theodorakopoulos, 2009, The Journal of chemical physics.

Compression in encapsulated carboxylic acid homodimers

Demeter Tzeli, I. Petsalakis, G. Theodorakopoulos, 2013 .

Theoretical study of free and encapsulated carboxylic acid and amide dimers

J. Rebek, Demeter Tzeli, I. Petsalakis, 2013 .

Encapsulated hydrogen-bonded dimers of amide and carboxylic acid

J. Rebek, Demeter Tzeli, I. Petsalakis, 2012 .

Theoretical study on a corrole-azafullerene dyad: Electronic structure, spectra and photoinduced electron transfer

I. Petsalakis, G. Theodorakopoulos, 2014 .

Electron transfer through organic molecular wires: A theoretical study

N. Lathiotakis, I. Petsalakis, G. Theodorakopoulos, 2017 .

A preliminary investigation on the thermodynamic stability of triplet carbenoid isomers of silaethylene

I. Csizmadia, G. Theodorakopoulos, O. Strausz, 1978 .

Calculations on the singlet-triplet energy separations of silaethylene

P. Mezey, M. Robb, I. Csizmadia, 1977 .

Theoretical conformational analysis of a simple sulphilimine model

P. Mezey, I. Csizmadia, G. Theodorakopoulos, 1975 .

Theory and ab initio calculation of partial widths and interchannel coupling in predissociating diatomic states: application to HeF

I. Petsalakis, G. Theodorakopoulos, C. Nicolaides, 1991 .

Potential energy curves and dipole transition moments for excited electronic states of XeKr and ArNe

H. Liebermann, R. Buenker, I. Petsalakis, 2002 .

Potential energy curves and dipole transition moments for electronic states of ArHe and HeNe

H. Liebermann, R. Buenker, I. Petsalakis, 2001 .

Non-orthonormal basis calculations of the dipole transition moment for the phillips system (A 1Πu → X 1Σ+g) in C2. Theoretical lifetime of the A 1Πu state

R. Buenker, I. Petsalakis, G. Theodorakopoulos, 1987 .

Potential energy curves and dipole transition moments to the ground state of the system Ar*(3p54s, 3P, 1P)+Ne

A. B. Alekseyev, R. Buenker, I. Petsalakis, 2000 .

Potential energy surface for large‐amplitude motion and vibrational spacings for FH+2

I. Hamilton, James S. Wright, I. Petsalakis, 1990 .

Ab initio configuration interaction study of the X3ϵ−, a1Δ and b1ϵ+ states of so and S2

S. Peyerimhoff, R. Buenker, G. Theodorakopoulos, 1981 .

Theoretical calculations on radiative and nonradiative processes of quartet states of HeH

I. Petsalakis, G. Theodorakopoulos, 1989 .

Social isomers of picolines in a small space.

J. Rebek, I. Petsalakis, G. Theodorakopoulos, 2013, Chemistry.

Pyridinium-based tripodal chemosensor in visual sensing of AMP in water by indicator displacement assay (IDA).

K. Ghosh, I. Petsalakis, G. Theodorakopoulos, 2013, Organic & biomolecular chemistry.

Theoretical study of adsorption of gallium and gallium nitrides on Si(1 1 1)

Demeter Tzeli, I. Petsalakis, G. Theodorakopoulos, 2007 .

Theoretical investigation on the binding of alkyl halides and cyclohexyl halides in water-soluble cavitands

J. Rebek, Demeter Tzeli, I. Petsalakis, 2019, Chemical Physics Letters.

Conformations of the thiathiophthenes and related molecules

I. Csizmadia, G. Theodorakopoulos, S. C. Nyburg, 1977 .

Asymmetric binding of symmetric guests in a water-soluble cavitand

J. Rebek, I. Petsalakis, G. Theodorakopoulos, 2018 .

Diabatic potentials for the 1 1A″ and 2 1A″ states of H2S

I. Petsalakis, G. Theodorakopoulos, C. Nicolaides, 1993 .

Experimental and theoretical anion binding studies on coumarin linked thiourea and urea molecules

R. Fröhlich, S. Adhikari, K. Ghosh, 2011 .

Recognition with metallo cavitands

J. Rebek, F. Rahman, I. Petsalakis, 2019, Proceedings of the National Academy of Sciences.

Benzimidazolium-based new simple ratiometric fluorescent sensor for selective detection of dihydrogenphosphate

A. Panja, K. Ghosh, I. Petsalakis, 2014 .

Conformations and fluorescence of encapsulated stilbene.

J. Rebek, Demeter Tzeli, I. Petsalakis, 2012, Journal of the American Chemical Society.

Binding selectivity and separation of p-functionalized toluenes with a metallo-cavitand in water.

J. Rebek, F. Rahman, Jimin Yang, 2020, Chemical communications.

The role of the host–guest interactions in the relative stability of compressed encapsulated homodimers and heterodimers of amides and carboxylic acids

J. Rebek, Demeter Tzeli, I. Petsalakis, 2014, Theoretical Chemistry Accounts.

Theoretical study of hydrogen bonding in homodimers and heterodimers of amide, boronic acid, and carboxylic acid, free and in encapsulation complexes.

J. Rebek, Demeter Tzeli, I. Petsalakis, 2011, Journal of the American Chemical Society.

A Pyridinium–Urea‐Coupled Polyether Receptor for the Selective Sensing of Lysine and Cell Imaging

K. Ghosh, I. Petsalakis, G. Theodorakopoulos, 2017 .

Theoretical study of the photophysical processes of a styryl‐bodipy derivative eliciting an AND molecular logic gate response

Demeter Tzeli, I. Petsalakis, G. Theodorakopoulos, 2019, International Journal of Quantum Chemistry.

Molecular logic gates based on benzo-18-crown-6 ether of styrylquinoline: a theoretical study.

Demeter Tzeli, I. Petsalakis, G. Theodorakopoulos, 2016, Physical chemistry chemical physics : PCCP.

Cavitands as Containers for α,ω‐Dienes and Chaperones for Olefin Metathesis

J. Rebek, I. Petsalakis, G. Theodorakopoulos, 2018, Angewandte Chemie.

Aromaticity and Chemical Bonding of Chalcogen-bonded capsules featuring enhanced magnetic anisotropy.

J. Rebek, P. Ballester, F. Rahman, 2020, Chemphyschem : a European journal of chemical physics and physical chemistry.

The role of electric field, peripheral chains, and magnetic effects on significant 1H upfield shifts of the encapsulated molecules in chalcogen-bonded capsules.

J. Rebek, F. Rahman, Demeter Tzeli, 2021, Physical chemistry chemical physics : PCCP.

Theoretical ab initio study on the electronic states of GaO and Ga2O

I. Petsalakis, G. Theodorakopoulos, R. Góra, 2004 .

MRD-CI calculations on the potential energy curves of the ground and excited electronic states of the noble-gas hydrides, HeH, NeH and ArH

S. Peyerimhoff, R. Buenker, G. Theodorakopoulos, 1984 .

Rydberg spectra of ArH. Bound–bound interactions, predissociation, and radiative lifetimes of the Rydberg states

I. Petsalakis, G. Theodorakopoulos, 1994 .

Theoretical treatment of predissociation in the A 2Σ+, B 2Π, and C 2Σ+ states of HeH

R. Buenker, I. Petsalakis, G. Theodorakopoulos, 1990 .

Ab initio calculations on the ground and excited electronic states of KrH

I. Petsalakis, G. Theodorakopoulos, 1988 .

Non-adiabatic interactions between the C 2Σ+ and D 2Σ+ electronic states of HeH

R. Buenker, I. Petsalakis, G. Theodorakopoulos, 1988 .

Theoretical dipole transition moments for transitions between bound electronic states and non-adiabatic coupling matrix elements between 2Σ+ of HeH

R. Buenker, I. Petsalakis, G. Theodorakopoulos, 1987 .

Theoretical investigation of the excited states of NeH: calculations of dipole transition moments and radial coupling matrix elements

R. Buenker, I. Petsalakis, G. Theodorakopoulos, 1987 .

Theoretical dipole transition moments for the transitions to the ground state X2σ+ from the A2σ+, B2Π, C2σ+, D2σ+ and E2Π states and for the B 2?A 2:+ system in HeH

R. Buenker, I. Petsalakis, G. Theodorakopoulos, 1987 .

A non-van der Waals minimum of the He(1S) + H2(B 1Σu+) excited surface

G. Theodorakopoulos, C. Nicolaides, S. Farantos, 1983 .

Nonorthonormal CI for molecular excited states. I. The sudden polarization effect in 90° twisted ethylene

Robert J. Buenker, Cleanthes A. Nicolaides, Sigrid D. Peyerimhoff, 1984 .

Non‐orthonormal CI for molecular excited states. II. The zwitterionic states of terminally twisted butadiene

R. Buenker, I. Petsalakis, G. Theodorakopoulos, 1984 .

Theoretical calculations on the linewidths of rovibrational levels of the 3d Rydberg states of BeH and BeD

R. Buenker, I. Petsalakis, G. Theodorakopoulos, 1999 .

Predissociation widths and lifetimes of the states of BeH and BeD

R. Buenker, I. Petsalakis, G. Theodorakopoulos, 1997 .

Theoretical study on the electronic structure and the absorption spectra of complexes of C60 and C59N with π-extended derivatives of tetrathiafulvalene

Ioannis S. K. Kerkines, Demeter Tzeli, I. Petsalakis, 2011 .

Low-lying absorption and emission spectra of pyrene, 1,6-dithiapyrene, and tetrathiafulvalene: A comparison between ab initio and time-dependent density functional methods.

Wim Klopper, Ioannis S. K. Kerkines, W. Klopper, 2009, The Journal of chemical physics.

On the construction and use of ab initio quantum defect functions for

I. Petsalakis, G. Theodorakopoulos, M. Child, 1996 .

Theoretical calculations on the electronic states of XeH

I. Petsalakis, G. Theodorakopoulos, S. Consta, 1992 .

Quasi-molecular radiative transitions produced by thermal and low-temperature collisions: Ar(3p61S0–3p54s3P2)–He

H. Liebermann, R. Buenker, I. Petsalakis, 2006 .

Dynamics on the ground-state potential surfaces of H/sub 3/ and its isotopomeres from their uv spectra

C. Wunderlich, I. Petsalakis, G. Theodorakopoulos, 1998 .

Theoretical calculations on electronic transitions for H3, including Rydberg and transition state spectra

James S. Wright, I. Petsalakis, G. Theodorakopoulos, 1988 .

Multireference configuration interaction and quantum defect calculations on the Rydberg states of the BH molecule

I. Petsalakis, G. Theodorakopoulos, 2006 .

The Rydberg states of NO2: Vibrational autoionization of the ndσ states

I. Petsalakis, G. Theodorakopoulos, M. Child, 2001 .

Ab initio multichannel quantum defects for the 1A1 Rydberg states of H2O

I. Petsalakis, G. Theodorakopoulos, M. Child, 1995 .

Electronic states of CF

I. Petsalakis, G. Theodorakopoulos, 2000 .

Theoretical study on the electronic states of CH+2

I. Petsalakis, G. Theodorakopoulos, 1991 .

Theoretical lifetimes of Rydberg states of ArH and ArD

I. Petsalakis, G. Theodorakopoulos, 1992 .

Theoretical study on the low-lying electronic states of InN

I. Petsalakis, G. Theodorakopoulos, 2006 .

MRD CI Calculations on the radiative lifetime of the a 2δ state of CH

R. Buenker, I. Petsalakis, G. Theodorakopoulos, 1989 .

Quasidiabatic states for intramolecular charge transfer. Application to the protonation of NH3

I. Petsalakis, G. Theodorakopoulos, C. Nicolaides, 1994 .

Potential energy curves and radiative lifetimes of Rydberg states of NaHe

I. Petsalakis, G. Theodorakopoulos, 1993 .

Theoretical study on the electronic states of NaLi.

Demeter Tzeli, I. Petsalakis, G. Theodorakopoulos, 2008, The Journal of chemical physics.

Theoretical study of highly excited 1Σ+ and 1Π states of NaLi and experimental observation of the interacting 51Σ+ and 61Σ+ states

I. Petsalakis, G. Theodorakopoulos, P. Kowalczyk, 2009 .

Theory of chemical reactions of vibronically excited H2(B 1Σ+u). I. Prediction of a strongly bound excited state of H4

I. Petsalakis, G. Theodorakopoulos, C. Nicolaides, 1984 .

Valence bond analysis of molecular orbital wavefunctions: The ionicity of the B1σu+ state of H2

P. Karafiloglou, I. Petsalakis, G. Theodorakopoulos, 1988 .

Fractional spin in reduced density-matrix functional theory.

N. Helbig, N. Lathiotakis, G. Theodorakopoulos, 2011, The Journal of chemical physics.

Theoretical study of benzene, toluene, and dibromobenzene at a Si(111)7×7 surface

J. Polanyi, I. Petsalakis, G. Theodorakopoulos, 2005 .

Parent- and daughter-mediated halogenation reactions modeled for 1,2- and 1,4-dibromobenzene at Si(1 1 1)-7 × 7

J. Polanyi, I. Petsalakis, G. Theodorakopoulos, 2004 .

Theoretical study of the induced attachment of benzene to Si(1 1 1) 7 × 7

J. Polanyi, I. Petsalakis, G. Theodorakopoulos, 2003 .

One‐electron binding and auger energies of sulfur in atomic and molecular states

G. Theodorakopoulos, C. Nicolaides, D. Beck, 2009 .

Theoretical investigation of the sulphur K-LL auger energies and chemical shifts in a series of sulphur compounds

M. Robb, I. Csizmadia, G. Theodorakopoulos, 1980 .

Calculation of sulphur L(S2p)-MM Auger energies of H2S

M. Robb, I. Csizmadia, G. Theodorakopoulos, 1977 .

Photoinduced charge transfer in heterofullerene–donor hybrids: A theoretical study

I. Thanopulos, I. Petsalakis, G. Theodorakopoulos, 2011 .

Applicability of Mulliken's formula for photoinduced and intramolecular charge-transfer energies

R. Baer, I. Petsalakis, G. Theodorakopoulos, 2015 .

Distributed complex Gaussian basis sets: A useful function space for the solution of predissociation problems via the complex eigenvalue Schrödinger equation. Application to the isotope effect of NeH, NeD

I. Petsalakis, G. Theodorakopoulos, C. Nicolaides, 1990 .

Excited-state intramolecular proton transfer in hydroxyoxime-based chemical sensors.

Ioannis S. K. Kerkines, J. Rebek, I. Petsalakis, 2011, The journal of physical chemistry. A.

Potential energy hypersurfaces of H4 in the ground and the first two singlet excited electronic states

I. Petsalakis, G. Theodorakopoulos, C. Nicolaides, 1987 .

The X̃ 1A1 → Ã 1B1 transition moment of H2O using state‐specific configuration‐interaction wave functions

R. Buenker, I. Petsalakis, G. Theodorakopoulos, 1985 .

A method for the calculation of transition moments between electronic states of molecules using a different one‐electron basis set for each state

I. Petsalakis, G. Theodorakopoulos, C. Nicolaides, 1986 .

Nearly diabatic states by maximization of the non-orthonormal overlap between model-diabatic and MRD-CI wavefunctions

R. Buenker, I. Petsalakis, G. Theodorakopoulos, 1991 .

Configuration interaction study of the oscillator strenghts for the B1A1X1A1 and D1A1X1A1 transitions of the water molecule

R. Buenker, I. Petsalakis, G. Theodorakopoulos, 1985 .

FOTOS applied to molecules: Oscillator strengths in H2O

G. Theodorakopoulos, C. Nicolaides, 2009 .

Asymmetric dissociation and bending potentials of H2S in the ground and excited electronic states

I. Petsalakis, G. Theodorakopoulos, 1991 .

Theoretical investigation on the effect of protonation on the absorption and emission spectra of two amine-group-bearing, red "push-pull" emitters, 4-dimethylamino-4'-nitrostilbene and 4-(dicyanomethylene)-2-methyl-6-p-(dimethylamino) styryl-4H-pyran, by DFT and TDDFT calculations.

M. Vasilopoulou, I. Petsalakis, G. Theodorakopoulos, 2010, The journal of physical chemistry. A.

Unbalanced strain-directed functionalization of carbon nanohorns: A theoretical investigation based on complementary methods

M. Yudasaka, S. Iijima, I. Petsalakis, 2006 .

Time-evolution study of photoinduced charge-transfer in tertiary amine-fluorophore systems

Demeter Tzeli, I. Petsalakis, G. Theodorakopoulos, 2017 .

Uniform quality gaussian basis sets for organo-silicon compounds

P. Mezey, I. Csizmadia, G. Theodorakopoulos, 1977 .

Soluble functionalized carbon nanohorns.

M. Yudasaka, S. Iijima, I. Petsalakis, 2007, Journal of nanoscience and nanotechnology.

Theoretical Auger energies using a frozen orbital approximation: The S(2p → mm′) and O(1s → mm′) Auger spectrum of SO2

M. Robb, I. Csizmadia, G. Theodorakopoulos, 1978 .

Reversible encapsulation in a covalent capsule

J. Rebek, Demeter Tzeli, I. Petsalakis, 2015 .

Emitting and electron-transfer electronic states of tertiary amine-fluorophore sensor systems

Ioannis S. K. Kerkines, N. Lathiotakis, I. Petsalakis, 2009 .

Theoretical study in donor–acceptor carbon nanohorn-based hybrids

I. Petsalakis, G. Theodorakopoulos, N. Tagmatarchis, 2007 .

Theoretical study of halogen‐substituted benzene at a Si(111)7×7 surface

I. Petsalakis, G. Theodorakopoulos, 2005 .

Coherent oscillatory femtosecond dynamics in multichannel photodynamics of NO2 studied by spatially masked electron imaging.

D. Irimia, M. Janssen, I. Petsalakis, 2010, Journal of Physical Chemistry A.

Amplified halogen bonding in a small space.

J. Rebek, I. Petsalakis, G. Theodorakopoulos, 2013, Journal of the American Chemical Society.

Structure and energetics of InN and GaN dimers

M. Urban, I. Černušák, Demeter Tzeli, 2008 .

Minimal basis study of inner‐shell ionization potentials for molecules containing sulfur: S,S‐Diphenyl‐N‐p‐Tolylsulfonyl‐Sulfilimine

I. Csizmadia, G. Theodorakopoulos, Á. Kucsman, 1981 .

Improved theoretical calculations of InN in its X3Σ− ground state and in the first 3Π excited state

M. Urban, I. Černušák, I. Petsalakis, 2007 .

CI and DFT Studies of the Adsorption of the Nerve Agent Sarin on Surfaces

J. Whitten, I. Petsalakis, G. Theodorakopoulos, 2014 .