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1

Why Are Water−Hydrophobic Interfaces Charged?

Kudin, Konstantin N., Car, Roberto

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 235 KB

english, 2008

2

Oxygen-Driven Unzipping of Graphitic Materials

Li, Je-Luen, Kudin, Konstantin N., McAllister, Michael J., Prud’homme, Robert K., Aksay, Ilhan A., Car, Roberto

Journal:

Physical Review Letters

Year:

2006

Language:

english

File:

PDF, 892 KB

english, 2006

3

Matrix isolation infrared and density functional theoretical studies of cryogenic reactions of silicon atoms with dimethyl ether and methanol: new route to generation and stabilization of transient silanones

Valery N. Khabashesku, Konstantin N. Kudin, John L. Margrave, Leif Fredin

Journal:

Journal of Organometallic Chemistry

Year:

2000

Language:

english

File:

PDF, 212 KB

english, 2000

4

Raman Spectra of Graphite Oxide and Functionalized Graphene Sheets

Kudin, Konstantin N., Ozbas, Bulent, Schniepp, Hannes C., Prud'homme, Robert K., Aksay, Ilhan A., Car, Roberto

Journal:

Year:

2008

Language:

english

File:

PDF, 456 KB

english, 2008

5

Hybrid Density-Functional Theory and the Insulating Gap of

Kudin, Konstantin N., Scuseria, Gustavo E., Martin, Richard L.

Journal:

Physical Review Letters

Year:

2002

Language:

english

File:

PDF, 116 KB

english, 2002

6

BN, and C nanoshell elasticity from ab initio computations

Kudin, Konstantin N., Scuseria, Gustavo E., Yakobson, Boris I.

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 423 KB

english, 2001

7

Organometallic hydrides as reactants in fullerene chemistry. Interaction of the fullerenes C60 and C70 with HM(CO)(PPh3)3 (MRh and Ir) and HIr(C8H12)(PPh3)2

Alexander V. Usatov, Konstantin N. Kudin, Eugenii V. Vorontsov, Ludmila E. Vinogradova, Yurii N. Novikov

Journal:

Journal of Organometallic Chemistry

Year:

1996

Language:

english

File:

PDF, 541 KB

english, 1996

8

Single wall carbon nanotubes density of states: comparison of experiment and theory

Pavel V. Avramov, Konstantin N. Kudin, Gustavo E. Scuseria

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 104 KB

english, 2003

9

A fast multipole method for periodic systems with arbitrary unit cell geometries

Konstantin N Kudin, Gustavo E Scuseria

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 114 KB

english, 1998

10

Vibrational analysis of infrared spectra of matrix-isolated transient silenes on basis of density functional theory calculations

Valery N. Khabashesku, Konstantin N. Kudin, John L. Margrave

Journal:

Journal of Molecular Structure

Year:

1998

Language:

english

File:

PDF, 890 KB

english, 1998

11

Matrix isolation infrared and density functional theoretical studies of organic silanones, (CH3O)2SiO and (C6H5)2SiO

Valery N Khabashesku, Zoya A Kerzina, Konstantin N Kudin, Oleg M Nefedov

Journal:

Journal of Organometallic Chemistry

Year:

1998

Language:

english

File:

PDF, 309 KB

english, 1998

12

Achieving linear-scaling computational cost for the polarizable continuum model of solvation

Giovanni Scalmani, Vincenzo Barone, Konstantin N. Kudin, Christian S. Pomelli, Gustavo E. Scuseria, Michael J. Frisch

Journal:

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

Year:

2004

Language:

english

File:

PDF, 361 KB

english, 2004

13

A fast multipole algorithm for the efficient treatment of the Coulomb problem in electronic structure calculations of periodic systems with Gaussian orbitals

Konstantin N Kudin, Gustavo E Scuseria

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 126 KB

english, 1998

14

Transverse polarizabilities of carbon nanotubes: A Hartree-Fock and density functional study

Brothers, Edward, Kudin, Konstantin, Scuseria, Gustavo, Bauschlicher, Charles

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 62 KB

english, 2005

15

Electronic Response Properties of Carbon Nanotubes in Magnetic Fields

Sebastiani, Daniel, Kudin, Konstantin N.

Journal:

Year:

2008

Language:

english

File:

PDF, 2.38 MB

english, 2008

16

Converging self-consistent field equations in quantum chemistry – recent achievements and remaining challenges

Kudin, Konstantin N., Scuseria, Gustavo E.

Journal:

ESAIM Mathematical Modelling and Numerical Analysis

Year:

2007

Language:

english

File:

PDF, 243 KB

english, 2007

17

Zigzag Graphene Nanoribbons with Saturated Edges

Kudin, Konstantin N.

Journal:

Year:

2008

Language:

english

File:

PDF, 1.15 MB

english, 2008

18

A black-box self-consistent field convergence algorithm: One step closer

Kudin, Konstantin N., Scuseria, Gustavo E., Cancès, Eric

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 379 KB

english, 2002

19

Bending Properties of Single Functionalized Graphene Sheets Probed by Atomic Force Microscopy

Schniepp, Hannes C., Kudin, Konstantin N., Li, Je-Luen, Prud’homme, Robert K., Car, Roberto, Saville, Dudley A., Aksay, Ilhan A.

Journal:

Year:

2008

Language:

english

File:

PDF, 1.65 MB

english, 2008

20

Thermochemistry of Fluorinated Single Wall Carbon Nanotubes

Bettinger, Holger F., Kudin, Konstantin N., Scuseria, Gustavo E.

Journal:

Journal of the American Chemical Society

Year:

2001

Language:

english

File:

PDF, 110 KB

english, 2001

21

Longitudinal Polarizability of Carbon Nanotubes

Brothers, Edward N., Scuseria, Gustavo E., Kudin, Konstantin N.

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 73 KB

english, 2006

22

Revisiting infinite lattice sums with the periodic fast multipole method

Kudin, Konstantin N., Scuseria, Gustavo E.

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 344 KB

english, 2004

23

Quadratically convergent algorithm for fractional occupation numbers in density functional theory

Cancès, Eric, Kudin, Konstantin N., Scuseria, Gustavo E., Turinici, Gabriel

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 344 KB

english, 2003

24

Structure and Magnetic Properties of Nitroxide Molecular Crystals by Density Functional Calculations Employing Periodic Boundary Conditions

Improta, Roberto, Kudin, Konstantin N., Scuseria, Gustavo E., Barone, Vincenzo

Journal:

Journal of the American Chemical Society

Year:

2002

Language:

english

File:

PDF, 137 KB

english, 2002

25

Structure and Conformational Behavior of Biopolymers by Density Functional Calculations Employing Periodic Boundary Conditions. I. The Case of Polyglycine, Polyalanine, and Poly-α-aminoisobutyric Acid in Vacuo

Improta, Roberto, Barone, Vincenzo, Kudin, Konstantin N., Scuseria, Gustavo E.

Journal:

Journal of the American Chemical Society

Year:

2001

Language:

english

File:

PDF, 307 KB

english, 2001

26

Structural Models of Fluorine-Graphite Intercalation Compounds from Density Functional Theory †

Bettinger, Holger F., Kudin, Konstantin N., Scuseria, Gustavo E.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 70 KB

english, 2004

27

Linear-scaling density-functional theory with Gaussian orbitals and periodic boundary conditions: Efficient evaluation of energy and forces via the fast multipole method

Kudin, Konstantin N., Scuseria, Gustavo E.

Journal:

Physical Review B

Year:

2000

Language:

english

File:

PDF, 142 KB

english, 2000

28

Fluorinated single-wall carbon nanotubes

Kudin, Konstantin N., Bettinger, Holger F., Scuseria, Gustavo E.

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 703 KB

english, 2001

29

Ab Initio and Density Functional Theoretical Studies of Structures, Vibrational Spectra, and Dimerization Dynamics of Simple Transient Germenes †

Kudin, Konstantin N., Margrave, John L., Khabashesku, Valery N.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 98 KB

english, 1998

30

[Society of Exploration Geophysicists SEG Technical Program Expanded Abstracts 2011 - ()] SEG Technical Program Expanded Abstracts 2011 - Experiments in low impact seismic acquisition for oil shale

Costello, Michael, Cozzens, A. J., Kudin, Konstantin, Mestayer, Jeff, Pronina, Katia

Year:

2011

Language:

english

File:

PDF, 934 KB

english, 2011

31

Efficient algorithm for band connectivity resolution

Yazyev, Oleg V., Kudin, Konstantin N., Scuseria, Gustavo E.

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 94 KB

english, 2002

32

Transient 1,1-Dimethyl-1-germene, (CH 3 ) 2 GeCH 2 . Gas-Phase Pyrolytic Generation and EIMS, Matrix Isolation FTIR, and Theoretical Studies

Khabashesku, Valery N., Kudin, Konstantin N., Tamás, Josef, Boganov, Sergei E., Margrave, John L., Nefedov, Oleg M.

Journal:

Journal of the American Chemical Society

Year:

1998

Language:

english

File:

PDF, 173 KB

english, 1998

33

Free energy profile along a discretized reaction path via the hyperplane constraint force and torque

Kudin, Konstantin N., Car, Roberto

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 392 KB

english, 2005

34

A finite temperature linear tetrahedron method for electronic structure calculations of periodic systems

Yazyev, Oleg V., Brothers, Edward N., Kudin, Konstantin N., Scuseria, Gustavo E.

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 477 KB

english, 2004

35

An efficient finite field approach for calculating static electric polarizabilities of periodic systems

Kudin, Konstantin N., Scuseria, Gustavo E.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 315 KB

english, 2000

36

Range definitions for Gaussian-type charge distributions in fast multipole methods

Kudin, Konstantin N., Scuseria, Gustavo E.

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 309 KB

english, 1999

37

Lattice defects and magnetic ordering in plutonium oxides: A hybrid density-functional-theory study of strongly correlated materials

Prodan, Ionut D., Scuseria, Gustavo E., Sordo, José A., Kudin, Konstantin N., Martin, Richard L.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 466 KB

english, 2005

38

Analytic stress tensor with the periodic fast multipole method

Kudin, Konstantin N., Scuseria, Gustavo E.

Journal:

Physical Review B

Year:

2000

Language:

english

File:

PDF, 356 KB

english, 2000

39

Atomic orbital Laplace-transformed second-order Møller–Plesset theory for periodic systems

Ayala, Philippe Y., Kudin, Konstantin N., Scuseria, Gustavo E.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 344 KB

english, 2001

40

A redundant internal coordinate algorithm for optimization of periodic systems

Kudin, Konstantin N., Scuseria, Gustavo E., Schlegel, H. Bernhard

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 327 KB

english, 2001

41

Longitudinal polarizability of long polymeric chains: Quasi-one-dimensional electrostatics as the origin of slow convergence

Kudin, Konstantin N., Car, Roberto, Resta, Raffaele

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 372 KB

english, 2005

42

Eckart axis conditions and the minimization of the root-mean-square deviation: Two closely related problems

Kudin, Konstantin N., Dymarsky, Anatoly Y.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 260 KB

english, 2005

43

Computation of the pseudorotation matrix to satisfy the Eckart axis conditions

Dymarsky, Anatoly Y., Kudin, Konstantin N.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 264 KB

english, 2005

44

The conformational behavior of polyglycine as predicted by a density functional model with periodic boundary conditions

Improta, Roberto, Barone, Vincenzo, Kudin, Konstantin N., Scuseria, Gustavo E.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 439 KB

english, 2001

45

Berry phase approach to longitudinal dipole moments of infinite chains in electronic-structure methods with local basis sets

Kudin, Konstantin N., Car, Roberto, Resta, Raffaele

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 221 KB

english, 2007

46

Quantization of the dipole moment and of the end charges in push-pull polymers

Kudin, Konstantin N., Car, Roberto, Resta, Raffaele

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 196 KB

english, 2007

47

Response to “Comment on ‘Computation of the pseudorotation matrix to satisfy the Eckart axis conditions’ ” [J. Chem. Phys. 122, 227101 (2005)]

Dymarsky, Anatoly Y., Kudin, Konstantin N.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 350 KB

english, 2005

48

Coaxial carbon nanotubes as shielded nanowires

Brothers, Edward N., Scuseria, Gustavo E., Kudin, Konstantin N.

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 519 KB

english, 2006

49

Vacuum Pyrolysis−Matrix Isolation FTIR and Density Functional Theoretical Studies of Transient Dimethylgermanone, (CH 3 ) 2 GeO

Khabashesku, Valery N., Boganov, Sergei E., Kudin, Konstantin N., Margrave, John L., Nefedov, Oleg M.

Journal:

Organometallics

Year:

1998

Language:

english

File:

PDF, 169 KB

english, 1998

50

Prism waves for imaging steep geologic features and sediment terminations against salt flanks: Examples from the Gulf of Mexico

Kudin, Konstantin N., Kryvohuz, Maksym, Kuehl, Henning, Selim, Michael F., Butler, William H., Theriot, Christian, Yin, Ailin

Journal:

The Leading Edge

Year:

2018

Language:

english

File:

PDF, 6.98 MB

english, 2018