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1

Electronic Structure and Properties of Transition Metal Compounds (Introduction to the Theory) || Method of Molecular Orbitals and Related Approaches

Bersuker, Isaac B.

Year:

2010

Language:

english

File:

PDF, 1.25 MB

english, 2010

2

The Jahn–Teller Effect || Pseudo Jahn–Teller, product Jahn–Teller, and Renner–Teller effects

Bersuker, Isaac

Year:

2006

Language:

english

File:

PDF, 627 KB

english, 2006

3

Giant permittivity and electrostriction induced by dynamic Jahn-Teller and pseudo Jahn-Teller effects

Bersuker, Isaac B.

Journal:

Applied Physics Letters

Year:

2015

Language:

english

File:

PDF, 262 KB

english, 2015

4

Limitations of density functional theory in application to degenerate states

Bersuker, Isaac B.

Journal:

Journal of Computational Chemistry

Year:

1997

Language:

english

File:

PDF, 238 KB

english, 1997

5

Pharmacophore Identification and Bioactivity Prediction for Group I Metabotropic Glutamate Receptor Agonists by the Electron-Conformational QSAR Method

Eran Rosines, Isaac B. Bersuker, James E. Boggs

Journal:

Molecular Informatics

Year:

2001

Language:

english

File:

PDF, 257 KB

english, 2001

6

Electronic Structure and Properties of Transition Metal Compounds (Introduction to the Theory) || Introduction: Subject and Methods

Bersuker, Isaac B.

Year:

2010

Language:

english

File:

PDF, 520 KB

english, 2010

7

Electronic Structure and Properties of Transition Metal Compounds (Introduction to the Theory) || Appendixes

Bersuker, Isaac B.

Year:

2010

Language:

english

File:

PDF, 508 KB

english, 2010

8

Electronic Structure and Properties of Transition Metal Compounds (Introduction to the Theory) || Stereochemistry and Crystal Chemistry

Bersuker, Isaac B.

Year:

2010

Language:

english

File:

PDF, 1.04 MB

english, 2010

9

Electronic Structure and Properties of Transition Metal Compounds (Introduction to the Theory) || Electronic Control of Molecular Shapes and Transformations via Vibronic Coupling

Bersuker, Isaac B.

Year:

2010

Language:

english

File:

PDF, 1.18 MB

english, 2010

10

Electronic Structure and Properties of Transition Metal Compounds (Introduction to the Theory) || Reactivity and Catalytic Action

Bersuker, Isaac B.

Year:

2010

Language:

english

File:

PDF, 1.35 MB

english, 2010

11

Electronic Structure and Properties of Transition Metal Compounds (Introduction to the Theory) || Electronic Structure and Chemical Bonding

Bersuker, Isaac B.

Year:

2010

Language:

english

File:

PDF, 1.54 MB

english, 2010

12

Electronic Structure and Properties of Transition Metal Compounds (Introduction to the Theory) || Electronic Structure Investigated by Physical Methods

Bersuker, Isaac B.

Year:

2010

Language:

english

File:

PDF, 1.54 MB

english, 2010

13

Electronic Structure and Properties of Transition Metal Compounds (Introduction to the Theory) || Atomic States

Bersuker, Isaac B.

Year:

2010

Language:

english

File:

PDF, 804 KB

english, 2010

14

Electronic Structure and Properties of Transition Metal Compounds (Introduction to the Theory) || Frontmatter

Bersuker, Isaac B.

Year:

2010

Language:

english

File:

PDF, 596 KB

english, 2010

15

Electronic Structure and Properties of Transition Metal Compounds (Introduction to the Theory) || Electron Transfer, Redox Properties, and Electron-Conformational Effects

Bersuker, Isaac B.

Year:

2010

Language:

english

File:

PDF, 819 KB

english, 2010

16

Electronic Structure and Properties of Transition Metal Compounds (Introduction to the Theory) || Formula Index

Bersuker, Isaac B.

Year:

2010

Language:

english

File:

PDF, 457 KB

english, 2010

17

Electronic Structure and Properties of Transition Metal Compounds (Introduction to the Theory) || Crystal Field Theory

Bersuker, Isaac B.

Year:

2010

Language:

english

File:

PDF, 966 KB

english, 2010

18

Electronic Structure and Properties of Transition Metal Compounds (Introduction to the Theory) || Symmetry Ideas and Group-Theoretical Description

Bersuker, Isaac B.

Year:

2010

Language:

english

File:

PDF, 636 KB

english, 2010

19

Electronic Structure and Properties of Transition Metal Compounds (Introduction to the Theory) || Subject Index

Bersuker, Isaac B.

Year:

2010

Language:

english

File:

PDF, 440 KB

english, 2010

20

Electronic Structure and Properties of Transition Metal Compounds (Introduction to the Theory) || Answers and Solutions

Bersuker, Isaac B.

Year:

2010

Language:

english

File:

PDF, 646 KB

english, 2010

21

ChemInform Abstract: Improved Electron-Conformational Method of Pharmacophore Identification and Bioactivity Prediction. Application to Angiotensin Converting Enzyme Inhibitors.

Isaac B. Bersuker, Sueleyman Bahceci, James E. Boggs

Journal:

Year:

2001

File:

PDF, 25 KB

2001

22

ChemInform Abstract: Modern Aspects of the Jahn—Teller Effect Theory and Applications to Molecular Problems

Isaac B. Bersuker

Journal:

Year:

2001

File:

PDF, 24 KB

2001

23

ChemInform Abstract: Methods of Combined Quantum/Classical (QM/MM) Modeling for Large Organometallic and Metallobiochemical Systems.

Isaac B. Bersuker

Journal:

Year:

2002

File:

PDF, 24 KB

2002

24

Pseudo Jahn–Teller versus Renner–Teller effects in the instability of linear molecules

Yang Liu, Isaac B. Bersuker, Wenli Zou, James E. Boggs

Journal:

Chemical Physics

Year:

2010

Language:

english

File:

PDF, 528 KB

english, 2010

25

Preface

Isaac B. Bersuker, Nicola Manini, Erio Tosatti, Eugenio E. Vogel

Journal:

Journal of Molecular Structure

Year:

2007

Language:

english

File:

PDF, 70 KB

english, 2007

26

Symmetry breaking in linear : A theoretical study

Wenli Zou, Dong Xu, Peter Zajac, Andrew L. Cooksy, Isaac B. Bersuker, Yang Liu, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 613 KB

english, 2010

27

On the origin of dynamic instability of molecular systems

Isaac B. Bersuker, Natalia N. Gorinchoi, Victor Z. Polinger

Journal:

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

Year:

1984

Language:

english

File:

PDF, 588 KB

english, 1984

28

QSAR without arbitrary descriptors: the electron-conformational method

Isaac B. Bersuker

Journal:

Journal of Computer-Aided Molecular Design

Year:

2008

Language:

english

File:

PDF, 392 KB

english, 2008

29

An electron-conformational method of identification of pharmacophore and anti-pharmacophore shielding: Application to rice blast activity

Isaac B. Bersuker, Süleyman Bahceci, James E. Boggs, Robert S. Pearlman

Journal:

Journal of Computer-Aided Molecular Design

Year:

1999

Language:

english

File:

PDF, 212 KB

english, 1999

30

Pseudo jahn-teller origin of bending distortions in renner-teller molecules and its spectroscopic implications

Pablo Garcia-Fernandez, Isaac B. Bersuker

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 977 KB

english, 2012

31

Jahn–Teller, pseudo Jahn–Teller, and Renner–Teller effects in systems with fractional charges

Natalia N. Gorinchoy, Iolanta I. Balan, Isaac B. Bersuker

Journal:

Computational and Theoretical Chemistry

Year:

2011

Language:

english

File:

PDF, 545 KB

english, 2011

32

Pseudo Jahn–Teller origin of bending instability of triatomic molecules

Hakan Kayi, Isaac B. Bersuker, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 479 KB

english, 2012

33

Combined Jahn−Teller and Pseudo-Jahn−Teller Effect in the CO 3 Molecule: A Seven-State Six-Mode Problem

Liu, Yang, Bersuker, Isaac B., Zou, Wenli, Boggs, James E.

Journal:

Journal of Chemical Theory and Computation

Year:

2009

Language:

english

File:

PDF, 1.88 MB

english, 2009

34

Pseudo-Jahn–Teller Effect—A Two-State Paradigm in Formation, Deformation, and Transformation of Molecular Systems and Solids

Bersuker, Isaac B.

Journal:

Chemical Reviews

Year:

2013

Language:

english

File:

PDF, 6.32 MB

english, 2013

35

Problem

Bersuker, Isaac B.

Journal:

Physical Review Letters

Year:

2012

Language:

english

File:

PDF, 175 KB

english, 2012

36

Do non-centro-symmetric linear X-Y-X molecules exist? The case for the (I)[sup 2]Π[sub u] state of CuCl[sub 2]

Zou, Wenli, Bersuker, Isaac B., Boggs, James E.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 663 KB

english, 2008

37

Lost Topological (Berry) Phase Factor in Electronic Structure Calculations. Example: The Ozone Molecule

Garcia-Fernandez, Pablo, Bersuker, Isaac B., Boggs, James E.

Journal:

Physical Review Letters

Year:

2006

Language:

english

File:

PDF, 157 KB

english, 2006

38

REVIEW: THE CONCEPT OF VIBRONIC INTERACTIONS IN CRYSTAL STEREOCHEMISTRY OF TRANSITION METAL COMPOUNDS

Bersuker, Isaac B.

Journal:

Journal of Coordination Chemistry

Year:

1995

Language:

english

File:

PDF, 3.03 MB

english, 1995

39

Multiple lines of conical intersections and nondegenerate ground state in T⊗t[sub 2] Jahn–Teller systems

Koizumi, Hiroyasu, Bersuker, Isaac B., Boggs, James E., Polinger, Victor Z.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 511 KB

english, 2000

40

Orbital disproportionation and spin crossover as a pseudo Jahn-Teller effect

Garcia-Fernandez, P., Bersuker, Isaac B., Boggs, James E.

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 770 KB

english, 2006

41

Modern Aspects of the Jahn−Teller Effect Theory and Applications To Molecular Problems

Bersuker, Isaac B.

Journal:

Chemical Reviews

Year:

2001

Language:

english

File:

PDF, 725 KB

english, 2001

42

Class of Molecular and Solid State Systems with Correlated Magnetic and Dielectric Bistabilities Induced by the Pseudo Jahn-Teller Effect

Garcia-Fernandez, Pablo, Bersuker, Isaac B.

Journal:

Physical Review Letters

Year:

2011

Language:

english

File:

PDF, 576 KB

english, 2011

43

Pseudo Jahn–Teller origin of instability of molecular high-symmetry configurations: Novel numerical method and results

Bersuker, Isaac B., Balabanov, Nikolai B., Pekker, David, Boggs, James E.

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 267 KB

english, 2002

44

Why Are Some ML 2 Molecules (M = Ca, Sr, Ba; L = H, F, Cl, Br) Bent while Others are Linear? Implications of the Pseudo Jahn−Teller Effect †

Garcia-Fernandez, Pablo, Bersuker, Isaac B., Boggs, James E.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 126 KB

english, 2007

45

Revisiting symmetry breaking in BNB: The key role of electronic correlation

Liu, Yang, Zou, Wenli, Bersuker, Isaac B.

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 538 KB

english, 2014

46

Pseudo Jahn–Teller origin of puckering in , , and dications

Liu, Yang, Bersuker, Isaac B., Boggs, James E.

Journal:

Chemical Physics

Year:

2013

Language:

english

File:

PDF, 628 KB

english, 2013

47

Comment on “Frequency Upshift in BO 2 and CO 2+ upon Electronic Excitation: A Twin-State Model Rationalization”

Bersuker, Isaac B.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 186 KB

english, 2012

48

Novel Effect Induced by Pseudo-Jahn–Teller Interactions: Broken Cylindrical Symmetry in Linear Molecules

Hermoso, Willian, Liu, Yang, Bersuker, Isaac B.

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 3.27 MB

english, 2014

49

Pseudo Jahn–Teller Origin of Nonplanarity and Rectangular-Ring Structure of Tetrafluorocyclobutadiene

Liu, Yang, Bersuker, Isaac B., Garcia-Fernandez, Pablo, Boggs, James E.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.82 MB

english, 2012

50

Quantitative Antidiabetic Activity Prediction for the Class of Guanidino- and Aminoguanidinopropionic Acid Analogs Based on Electron-Conformational Studies

Marenich, Aleksandr V., Yong, Pei-Han, Bersuker, Isaac B., Boggs, James E.

Journal:

Journal of Chemical Information and Modeling

Year:

2008

Language:

english

File:

PDF, 304 KB

english, 2008