Karadakov, P. B.: search on Z-Library

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1

The Lowest Singlet and Triplet States of o -Benzyne: Spin-Coupled Interpretation of the Electronic Structure at CAS SCF Equilibrium Geometries

Karadakov, Peter B., Gerratt, Joseph, Raos, Guido, Cooper, David L., Raimondi, Mario

Journal:

Israel Journal of Chemistry

Year:

1993

Language:

english

File:

PDF, 1.04 MB

english, 1993

2

Modern valence bond theory

Gerratt, J., Cooper, D. L., Karadakov, P. B., Raimondi, M.

Journal:

Chemical Society Reviews

Year:

1997

Language:

english

File:

PDF, 2.25 MB

english, 1997

3

Modern valence-bond description of bonding in strained three-membered rings: cyclopropane, aziridine, ethene oxide, phosphirane and thiirane

Peter B. Karadakov, Joseph Gerratt, David L. Cooper, Mario Raimondi

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 817 KB

english, 1995

4

Magnetic Shielding, Aromaticity, Antiaromaticity and Bonding in the Low-Lying Electronic States of S2N2

Karadakov, Peter B., Al-Yassiri, Muntadar, Cooper, David L.

Journal:

Chemistry - A European Journal

Year:

2018

Language:

english

File:

PDF, 3.84 MB

english, 2018

5

The Nature of the Carbon-Carbon Bonds in Cyclopropane and Cyclobutane: A Comparison Based on Spin-Coupled Theory

Karadakov, Peter B., Gerratt, Joseph, Cooper, David L., Raimondi, Mario

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 1.62 MB

english, 1994

6

An extension of the pairing theorem

Peter Karadakov

Journal:

International Journal of Quantum Chemistry

Year:

1985

Language:

english

File:

PDF, 426 KB

english, 1985

7

Halogen-bonded liquid crystals of 4-alkoxystilbazoles with molecular iodine: a very short halogen bond and unusual mesophase stability

McAllister, Linda J., Präsang, Carsten, Wong, Joanna P.-W., Thatcher, Robert J., Whitwood, Adrian C., Donnio, Bertrand, O'Brien, Peter, Karadakov, Peter B., Bruce, Duncan W.

Journal:

Chemical Communications

Year:

2013

Language:

english

File:

PDF, 1.09 MB

english, 2013

8

Bonding in benzodicyclobutadiene isomers: insights from modern valence bond theory

Cooper, David L., Karadakov, Peter B.

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 751 KB

english, 2014

9

Mesomorphism and Photophysics of Some Metallomesogens Based on Hexasubstituted 2,2′:6′, 2′′-Terpyridines

Kumar, N. S. Saleesh, Shafikov, Marsel Z., Whitwood, Adrian C., Donnio, Bertrand, Karadakov, Peter B., Kozhevnikov, Valery N., Bruce, Duncan W.

Journal:

Chemistry - A European Journal

Year:

2016

Language:

english

File:

PDF, 7.83 MB

english, 2016

10

SPINS: A collection of algorithms for symbolic generation and transformation of many-electron spin eigenfunctions

Peter B. Karadakov, Joseph Gerratt, David L. Cooper…

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1995

Language:

english

File:

PDF, 1.11 MB

english, 1995

11

Hamiltonian and overlap matrix elements between half-projected Slater determinants

P. Karadakov, O. Kastan'o

Journal:

Theoretical and Experimental Chemistry

Year:

1990

Language:

english

File:

PDF, 670 KB

english, 1990

12

Local States in Polyenes and Annulenes: Single Substitutions

Castaño, O., Karadakov, P.

Journal:

Zeitschrift für Physikalische Chemie

Year:

1981

Language:

english

File:

PDF, 1.55 MB

english, 1981

13

Instability of closed-shell Hartree-Fock solutions within the framework of the geminal approach

P. Karadakov, O. Kastan'o

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 565 KB

english, 1986

14

Spectrophotometric study of the complexes of hydroxyethylethylenediaminetriacetic acid with bismuth(III), copper(II) and lead(II)

B.P. Karadakov, P.P. Nenova, Khr.R. Ivanova

Journal:

Journal of Inorganic and Nuclear Chemistry

Year:

1976

Language:

english

File:

PDF, 221 KB

english, 1976

15

Application of the resolvents of some simple linear operators to the study of local vibrations and local electronic states in one-dimensional chains

Peter Karadakov, Obis Castaño

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1982

Language:

english

File:

PDF, 594 KB

english, 1982

16

Modern Valence-Bond Description of Chemical Reaction Mechanisms: The 1,3-Dipolar Addition of Diazomethane to Ethene

Blavins, Joshua J., Karadakov, Peter B., Cooper, David L.

Journal:

Journal of Organic Chemistry

Year:

2001

Language:

english

File:

PDF, 147 KB

english, 2001

17

Spin-Coupled Study of the Electronic Structure of Polyenyl Radicals C3H5-C9H11

Karadakov, Peter B., Gerratt, Joseph, Raos, Guido, Cooper, David L., Raimondi, Mario

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 1.22 MB

english, 1994

18

Mesomorphic 1,2,4-triazine-4-oxides in the synthesis of new heterocyclic liquid crystals

Kozhevnikov, Valery N., Cowling, Stephen J., Karadakov, Peter B., Bruce, Duncan W.

Journal:

Journal of Materials Chemistry

Year:

2008

Language:

english

File:

PDF, 928 KB

english, 2008

19

Modern valence-bond description of (CH3)4Li4

Cooper, David L., Gerratt, Joseph, Karadakov, Peter B., Raimondi, Mario

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1995

Language:

english

File:

PDF, 317 KB

english, 1995

20

Modern Valence-Bond Description of Homoaromaticity

Karadakov, Peter B., Cooper, David L.

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 2.01 MB

english, 2016

21

Are Multicentre Bond Indices and Related Quantities Reliable Predictors of Excited-State Aromaticity?

Ponec, Robert, Cooper, David L., Karadakov, Peter B.

Journal:

Year:

2020

File:

PDF, 310 KB

2020

22

A note on time-dependent variattonal principles

Peter Karadakov, Obis Castaño

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 202 KB

english, 1987

23

Modern valence-bond description of chemical reaction mechanisms: the 1,3-dipolar addition of fulminic acid to ethyne

Peter B. Karadakov, David L. Cooper, Joseph Gerratt

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1998

Language:

english

File:

PDF, 671 KB

english, 1998

24

Magnetic Shielding, Aromaticity, Antiaromaticity, and Bonding in the Low-Lying Electronic States of Benzene and Cyclobutadiene

Karadakov, Peter B., Hearnshaw, Peter, Horner, Kate E.

Journal:

Journal of Organic Chemistry

Year:

2016

Language:

english

File:

PDF, 5.58 MB

english, 2016

25

Statistical Thermodynamics Unveils How Ions Influence an Aqueous Diels‐Alder Reaction

Reid, Joshua E. S. J., Aquino, Pedro H. G., Walker, Adam J., Karadakov, Peter B., Shimizu, Seishi

Journal:

Year:

2019

File:

PDF, 1.19 MB

2019

26

ChemInform Abstract: SPECTROPHOTOMETRIC STUDY OF THE COMPLEXES OF HYDROXYETHYLETHYLENEDIAMINETRIACETIC ACID WITH BISMUTH(III), COPPER(II) AND LEAD(II)

KARADAKOV, B. P., NENOVA, P. P., IVANOVA, KHR. R.

Journal:

Chemischer Informationsdienst

Year:

1976

File:

PDF, 115 KB

1976

27

ONIOM as an efficient tool for calculating NMR chemical shielding constants in large molecules

Peter B. Karadakov, Keiji Morokuma

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 283 KB

english, 2000

28

The spin-projected Hartree-Fock method: Direct optimization schemes and stability conditions

Peter Karadakov

Journal:

International Journal of Quantum Chemistry

Year:

1986

Language:

english

File:

PDF, 1.12 MB

english, 1986

29

Comparison between the performances of the spin-projected Hartree–Fock, generalized valence-bond, and spin-coupled approaches

Peter B. Karadakov, David L. Cooper

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 140 KB

english, 2009

30

Reply to Comment “Electronic Reorganization in 1,3-Dipolar Cycloaddition of Fulminic Acid to Acetylene”

Karadakov, Peter B., Cooper, David L.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 8 KB

english, 2001

31

Spin-coupled description of organic reaction pathways: the cycloaddition reaction of two ethene molecules

Karadakov, Peter B., Gerratt, Joseph, Cooper, David L., Raimondi, Mario

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1994

Language:

english

File:

PDF, 1.02 MB

english, 1994

32

Aromatic electrophilic substitution. A modern valence bond study

Raos, Guido, Gerratt, Joseph, Karadakov, Peter B., Cooper, David L., Raimondi, Mario

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1995

Language:

english

File:

PDF, 2.33 MB

english, 1995

33

Study of the electronic states of the allyl radical using spin-coupled valence bond theory

Oliva, Josep M., Gerratt, Joseph, Cooper, David L., Karadakov, Peter B., Raimondi, Mario

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 465 KB

english, 1997

34

Does the Electronic Structure of Möbius Annulenes Follow Heilbronner's Ideas?

Karadakov, Peter B., Cooper, David L.

Journal:

Year:

2018

Language:

english

File:

PDF, 1.91 MB

english, 2018

35

Some contributions and generalizations to the electronic theory of even polyenes and annulenes

P. Karadakov, O. Castan̄o, F. Ftatev, V. Enchev

Journal:

Chemical Physics Letters

Year:

1981

Language:

english

File:

PDF, 433 KB

english, 1981

36

Modern valence-bond description of the ground state of Li2 ?

Petch, Brian, Cooper, David L., Gerratt, Joseph, Karadakov, Peter B., Raimondi, Mario

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1995

Language:

english

File:

PDF, 535 KB

english, 1995

37

Chemical bonding in oxofluorides of hypercoordinate sulfur

Cunningham, Terence P., Cooper, David L., Gerratt, Joseph, Karadakov, Peter B., Raimondi, Mario

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1997

Language:

english

File:

PDF, 1.24 MB

english, 1997

38

ChemInform Abstract: SPECTROPHOTOMETRIC STUDY OF THE REACTION OF TITANIUM(IV) AND HYDROXYETHYLETHYLENEDIAMINETRIACETIC ACID

NENOVA, P., KARADAKOV, B., KANTCHEVA, D.

Journal:

Chemischer Informationsdienst

Year:

1974

File:

PDF, 90 KB

1974

39

Controlling the S1 Energy Profile by Tuning Excited-State Aromaticity

Kotani, Ryota, Liu, Li, Kumar, Pardeep, Kuramochi, Hikaru, Tahara, Tahei, Liu, Pengpeng, Osuka, Atsuhiro, Karadakov, Peter B., Saito, Shohei

Journal:

Journal of the American Chemical Society

Year:

2020

File:

PDF, 9.90 MB

2020

40

Shielding in and around Oxazole, Imidazole, and Thiazole: How Does the Second Heteroatom Affect Aromaticity and Bonding?

Horner, Kate E., Karadakov, Peter B.

Journal:

Journal of Organic Chemistry

Year:

2015

Language:

english

File:

PDF, 684 KB

english, 2015

41

The electronic structure of borabenzene: Combination of an aromatic π-sextet and a reactive σ-framework

Peter B. Karadakov, Michaela Ellis, Joseph Gerratt, David L. Cooper, Mario Raimondi

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 301 KB

english, 1997

42

Spin-coupled descriptions of organic reactivity

Cooper, David L., Karadakov, Peter B.

Journal:

International Reviews in Physical Chemistry

Year:

2009

Language:

english

File:

PDF, 1.24 MB

english, 2009

43

Simplified antisymmetrized product of geminals wave function for extended systems. I. Delocalized geminals

Karadakov, P., Castan̄o, O., Calais, J.-L.

Journal:

The Journal of Chemical Physics

Year:

1990

Language:

english

File:

PDF, 617 KB

english, 1990

44

Magnetic Shielding Studies of C2 and C2H2 Support Higher than Triple Bond Multiplicity in C2

Karadakov, Peter B., Kirsopp, Josh

Journal:

Chemistry - A European Journal

Year:

2017

Language:

english

File:

PDF, 1.61 MB

english, 2017

45

Aromaticity of annulenes and annulene ions with 4v+2 electrons from the viewpoint of the theory of Hartree-Fock instabilities

Peter Karadakov, Obis Casta¯no

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1986

Language:

english

File:

PDF, 546 KB

english, 1986

46

Aromaticity and Antiaromaticity in the Low-Lying Electronic States of Cyclooctatetraene

Karadakov, Peter B.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 93 KB

english, 2008

47

Halogen- and Hydrogen-Bonded Salts and Co-crystals Formed from 4-Halo-2,3,5,6-tetrafluorophenol and Cyclic Secondary and Tertiary Amines: Orthogonal and Non-orthogonal Halogen and Hydrogen Bonding, and Synthetic Analogues of Halogen-Bonded Biological Syst

Takemura, Akihiro, McAllister, Linda J., Hart, Sam, Pridmore, Natalie E., Karadakov, Peter B., Whitwood, Adrian C., Bruce, Duncan W.

Journal:

Chemistry - A European Journal

Year:

2014

Language:

english

File:

PDF, 1.82 MB

english, 2014

48

Bonding in YXXY dihalides and dihydrides of dioxygen and disulfur

Alleres, Daniel R., Cooper, David L., Cunningham, Terence P., Gerratt, Joseph, Karadakov, Peter B., Raimondi, Mario

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1995

Language:

english

File:

PDF, 531 KB

english, 1995

49

Bonding in Singlet and Triplet Butalene: Insights from Spin-Coupled Theory

Cooper, David L., Karadakov, Peter B., Duke, Brian J.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.22 MB

english, 2015

50

Electronic Structure and Aromaticity of (AB) N -Heteroannulenes

Karadakov, P., Castaño, O., Fratev, F., Enchev, V.

Journal:

Zeitschrift für Physikalische Chemie

Year:

1981

Language:

english

File:

PDF, 3.06 MB

english, 1981

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