Eugene S Kryachko: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

1

Density functional theory: Foundations reviewed

Kryachko, Eugene S., Ludeña, Eduardo V.

Journal:

Physics Reports

Year:

2014

Language:

english

File:

PDF, 1.93 MB

english, 2014

2

On the original proof by reductio ad absurdum of the Hohenberg–Kohn theorem for many-electron Coulomb systems

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 98 KB

english, 2005

3

Water cluster approach to study hydrogen-bonded pattern in liquid water: Ab initio orientational defects in water hexamers and octamers

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

1998

Language:

english

File:

PDF, 695 KB

english, 1998

4

The force field picture of molecular shape response

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 216 KB

english, 2008

5

Few sketches on connections between the Riccati and Ermakov–Milne–Pinney equations

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 95 KB

english, 2009

6

Algebraic structure of fermion density matrices. II

G. G. Dyadyusha, Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

1981

Language:

english

File:

PDF, 316 KB

english, 1981

7

Method of local-scaling transformations and density-functional theory in quantum chemistry

Ivan Zh. Petkov, Mario V. Stoitsov, Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

1986

Language:

english

File:

PDF, 642 KB

english, 1986

8

Method of local-scaling transformations and density functional theory in quantum chemistry. II. The procedure for reproducing a many-electron wave function from x-ray diffraction data on one-electron density

Eugene S. Kryachko, Ivan Zh. Petkov, Mario V. Stoitsov

Journal:

International Journal of Quantum Chemistry

Year:

1987

Language:

english

File:

PDF, 343 KB

english, 1987

9

Retrospective outlook on computational aspects of energy density functional theory: Explicit and implicit contributions of Enrico Clementi

Eugene S. Kryachko, Toshikatsu Koga

Journal:

International Journal of Quantum Chemistry

Year:

1992

Language:

english

File:

PDF, 1.70 MB

english, 1992

10

I.G. Kaplan: Curriculum vitae

Douglas J. Klein, Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 27 KB

english, 2012

11

Hydrogen Bonding between Phenol and Acetonitrile

Kryachko, Eugene S., Nguyen, Minh Tho

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 78 KB

english, 2002

12

Fundamental World of Quantum Chemistry || Unified Approach to Intensities in Vibrational Spectroscopies VIA Dynamic Electromagnetic Shieldings at the Nuclei of a Molecule

Brändas, Erkki J., Kryachko, Eugene S.

Year:

2004

Language:

english

File:

PDF, 1.20 MB

english, 2004

13

Conceptual Perspectives in Quantum Chemistry || Different Legacies and Common Aims: Robert Mulliken, Linus Pauling and the Origins of Quantum Chemistry

Calais, Jean-Louis, Kryachko, Eugene

Year:

1997

Language:

english

File:

PDF, 2.64 MB

english, 1997

14

[NATO Science for Peace and Security Series A: Chemistry and Biology] SelfOrganization of Molecular Systems ||

Russo, Nino, Antonchenko, Victor Ya., Kryachko, Eugene S.

Year:

2009

Language:

english

File:

PDF, 12.08 MB

english, 2009

15

Local-scaling transformations and the direct determination of Kohn–Sham orbitals and potentials for beryllium

Ludeña, Eduardo V., Maldonado, Jorge, López-Boada, Roberto, Koga, Toshikatsu, Kryachko, Eugene S.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 463 KB

english, 1995

16

Formalism for molecular-dynamics calculations of many-electron systems

Kryachko, Eugene S.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 198 KB

english, 1993

17

[NATO Science for Peace and Security Series A: Chemistry and Biology] SelfOrganization of Molecular Systems || FDTD Studies of Metallic Nanoparticle Systems

Russo, Nino, Antonchenko, Victor Ya., Kryachko, Eugene S.

Year:

2009

Language:

english

File:

PDF, 2.48 MB

english, 2009

18

Energy Density Functional Theory of Many-Electron Systems ||

Kryachko, Eugene S., Ludeña, Eduardo V.

Year:

1990

Language:

english

File:

PDF, 67.47 MB

english, 1990

19

ChemInform Abstract: Density Functional Theory and Molecular Interactions: Dispersion Interactions

Kryachko, Eugene S.

Journal:

Year:

2013

File:

PDF, 17 KB

2013

20

Lagrangian many-electron molecular dynamics—A modern tool for attacking the chemical bond: The physics behind the equations

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

1996

Language:

english

File:

PDF, 1.07 MB

english, 1996

21

Diabatic bases and molecular properties

Eugene S. Kryachko, David R. Yarkony

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 334 KB

english, 2000

22

Explicit expression for the leaky aquifer function

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 137 KB

english, 2000

23

General and Theoretical Aspects of Phenols

Minh Tho Nguyen, Eugene S. Kryachko, Luc G. Vanquickenborne

Journal:

Year:

2005

File:

PDF, 8 KB

2005

24

On the theory of diatomic interactions. A new three-parameter diatomic potential energy function

Eugene S. Kryachko

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 434 KB

english, 1985

25

The cooperative model for orientational defects in ice: Continuum approach

Eugene S. Kryachko

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 348 KB

english, 1987

26

An approach, still analytical, to the study of proton tunneling in symmetrical hydrogen bonds

Eugene Kryachko, Michael Eckert, Georg Zundel

Journal:

Journal of Molecular Structure

Year:

1992

Language:

english

File:

PDF, 2.10 MB

english, 1992

27

Theoretical force-field model for blue-shifted hydrogen bonds with fluoromethanes

Eugene S. Kryachko, Alfred Karpfen

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 356 KB

english, 2006

28

On the paradigm

Alexander Alijah, Eugene S. Kryachko

Journal:

Journal of Molecular Structure

Year:

2007

Language:

english

File:

PDF, 315 KB

english, 2007

29

Where gold meets a hydrogen bond?

Eugene S. Kryachko

Journal:

Journal of Molecular Structure

Year:

2008

Language:

english

File:

PDF, 337 KB

english, 2008

30

Blue-shifted hydrogen-bonded complexes. II. CH3F⋯(HF)1 ⩽ n ⩽ 3 and CH2F2⋯(HF)1 ⩽ n ⩽ 3

Alfred Karpfen, Eugene S. Kryachko

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 450 KB

english, 2005

31

Interaction of superoxide with water hexamer clusters

Victor Ya. Antonchenko, Eugene S. Kryachko

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 617 KB

english, 2006

32

On blue shifts of C–H stretching modes of dimethyl ether in hydrogen- and halogen-bonded complexes

Alfred Karpfen, Eugene S. Kryachko

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 353 KB

english, 2006

33

Generalized idempotency purification transform in linear scaling self-consistent field theory

Eugene S. Kryachko

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 63 KB

english, 2000

34

Theoretical study of the molecular mechanism of the Li(2S1/2)+N2O(X1Σ+) reaction

Oksana Tishchenko, Eugene S Kryachko, Christian Vinckier, Minh Tho Nguyen

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 532 KB

english, 2002

35

Norbornane-type water heptamer

Eugene S. Kryachko

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 426 KB

english, 1997

36

Ab initio studies of the conformations of water hexamer: modelling the penta-coordinated hydrogen-bonded pattern in liquid water

Eugene S. Kryachko

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 553 KB

english, 1999

37

Low energy barriers of H-atom abstraction from phenols

Oksana Tishchenko, Eugene S Kryachko, Minh Tho Nguyen

Journal:

Journal of Molecular Structure

Year:

2002

Language:

english

File:

PDF, 318 KB

english, 2002

38

Theoretical study of the interaction of fluoroform and chloroform with the hydroxide ion

Eugene S Kryachko, Thérèse Zeegers-Huyskens

Journal:

Journal of Molecular Structure

Year:

2002

Language:

english

File:

PDF, 221 KB

english, 2002

39

Ab initio study of L-orientational defect in the hydrogen-bonded pattern of liquid water

Eugene S. Kryachko

Journal:

Journal of Molecular Structure

Year:

1997

Language:

english

File:

PDF, 914 KB

english, 1997

40

Quantum chemical study of 1-methyladenine and its spectra in gas phase and in solvent. I.

Eugene S. Kryachko, Georg Zundel

Journal:

Journal of Molecular Structure

Year:

1998

Language:

english

File:

PDF, 871 KB

english, 1998

41

Density functional calculations on protonated and deprotonated thiouracils and their complexes with water

Eugene S. Kryachko, Minh Tho Nguyen, Thérèse Zeegers-Huyskens

Journal:

Chemical Physics

Year:

2001

Language:

english

File:

PDF, 604 KB

english, 2001

42

Theoretical and experimental study of the conformational and vibrational properties of benzoin

Zbignew Pawelka, Eugene S. Kryachko, Thérèse Zeegers-Huyskens

Journal:

Chemical Physics

Year:

2003

Language:

english

File:

PDF, 269 KB

english, 2003

43

Theoretical vibrational analysis of monohalogenated phenols

Oksana Tishchenko, Eugene S. Kryachko, Minh Tho Nguyen

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2002

Language:

english

File:

PDF, 180 KB

english, 2002

44

Mechanism of the oxidation reaction of Cu with N2O via nonadiabatic electron transfer

Eugene S. Kryachko, Oksana Tishchenko, Minh Tho Nguyen

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 203 KB

english, 2002

45

Existence of strictly diabatic basis sets for the two-state problem

Eugene S. Kryachko, António J. C. Varandas

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 82 KB

english, 2002

46

Preopening of the DNA base pairs

Eugene S. Kryachko, Sergey N. Volkov

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 462 KB

english, 2001

47

Quantum chemical study of the hydrogen-bonded patterns in A · T base pair of DNA: Origins of tautomeric mispairs, base flipping, and Watson–Crick ⇒ Hoogsteen conversion

Eugene S. Kryachko, John R. Sabin

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 573 KB

english, 2003

48

Generation of systematic sequences of even-tempered basis sets: Empirical generating formulae

Eugene S. Kryachko, Stephen Wilson

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 118 KB

english, 2003

49

Theoretical study of hydrogenation of thiouracils and their base pairs with adenine

Leif A. Eriksson, Eugene S. Kryachko, Minh T. Nguyen

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 897 KB

english, 2004

50

On the proof by reductio ad absurdum of the Hohenberg–Kohn theorem for ensembles of fractionally occupied states of Coulomb systems

Eugene S. Kryachko

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 97 KB

english, 2006