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Konstantin N. Kudin, Ph.D. - Publications

Affiliations: 
Rice University, Houston, TX 
Area:
Quantum Chemistry
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38 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2008 Sebastiani D, Kudin KN. Electronic response properties of carbon nanotubes in magnetic fields. Acs Nano. 2: 661-8. PMID 19206596 DOI: 10.1021/Nn700147W  0.322
2008 Kudin KN. Zigzag graphene nanoribbons with saturated edges. Acs Nano. 2: 516-22. PMID 19206578 DOI: 10.1021/Nn700229V  0.348
2008 Kudin KN, Ozbas B, Schniepp HC, Prud'homme RK, Aksay IA, Car R. Raman spectra of graphite oxide and functionalized graphene sheets. Nano Letters. 8: 36-41. PMID 18154315 DOI: 10.1021/Nl071822Y  0.342
2008 Brothers EN, Izmaylov AF, Scuseria GE, Kudin KN. Analytically calculated polarizability of carbon nanotubes: Single wall, coaxial, and bundled systems Journal of Physical Chemistry C. 112: 1396-1400. DOI: 10.1021/Jp709931R  0.681
2007 Kudin KN, Car R, Resta R. Berry phase approach to longitudinal dipole moments of infinite chains in electronic-structure methods with local basis sets. The Journal of Chemical Physics. 126: 234101. PMID 17600398 DOI: 10.1063/1.2743018  0.364
2007 Kudin KN, Scuseria GE. Converging self-consistent field equations in quantum chemistry - Recent achievements and remaining challenges Mathematical Modelling and Numerical Analysis. 41: 281-296. DOI: 10.1051/M2An:2007022  0.446
2006 Brothers EN, Scuseria GE, Kudin KN. Longitudinal polarizability of carbon nanotubes. The Journal of Physical Chemistry. B. 110: 12860-4. PMID 16805583 DOI: 10.1021/Jp0603839  0.522
2006 Brothers EN, Scuseria GE, Kudin KN. Coaxial carbon nanotubes as shielded nanowires. The Journal of Chemical Physics. 124: 041101. PMID 16460142 DOI: 10.1063/1.2149850  0.512
2006 Sun DY, Mendelev MI, Becker CA, Kudin K, Haxhimali T, Asta M, Hoyt JJ, Karma A, Srolovitz DJ. Crystal-melt interfacial free energies in hcp metals: A molecular dynamics study of Mg Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.024116  0.317
2006 Butterfield MT, Durakiewicz T, Prodan ID, Scuseria GE, Guziewicz E, Sordo JA, Kudin KN, Martin RL, Joyce JJ, Arko AJ, Graham KS, Moore DP, Morales LA. A comparison of hybrid density functional theory with photoemission of surface oxides of δ-plutonium Surface Science. 600: 1637-1640. DOI: 10.1016/J.Susc.2005.11.051  0.718
2005 Prodan ID, Scuseria GE, Sordo JA, Kudin KN, Martin RL. Lattice defects and magnetic ordering in plutonium oxides: a hybrid density-functional-theory study of strongly correlated materials. The Journal of Chemical Physics. 123: 014703. PMID 16035859 DOI: 10.1063/1.1953427  0.724
2005 Brothers EN, Kudin KN, Scuseria GE, Bauschlicher CW. Transverse polarizabilities of carbon nanotubes: A Hartree-Fock and density functional study Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.033402  0.514
2004 Kudin KN, Scuseria GE. Revisiting infinite lattice sums with the periodic fast multipole method. The Journal of Chemical Physics. 121: 2886-90. PMID 15291598 DOI: 10.1063/1.1771634  0.465
2004 Yazyev OV, Brothers EN, Kudin KN, Scuseria GE. A finite temperature linear tetrahedron method for electronic structure calculations of periodic systems. The Journal of Chemical Physics. 121: 2466-70. PMID 15281843 DOI: 10.1063/1.1768165  0.47
2004 Bettinger HF, Kudin KN, Scuseria GE. Structural Models of Fluorine-Graphite Intercalation Compounds from Density Functional Theory Journal of Physical Chemistry A. 108: 3016-3018. DOI: 10.1021/Jp0310854  0.516
2004 Scalmani G, Barone V, Kudin KN, Pomelli CS, Scuseria GE, Frisch MJ. Achieving linear-scaling computational cost for the polarizable continuum model of solvation Theoretical Chemistry Accounts. 111: 90-100. DOI: 10.1007/S00214-003-0527-2  0.472
2003 Cancès E, Kudin KN, Scuseria GE, Turinici G. Quadratically convergent algorithm for fractional occupation numbers in density functional theory Journal of Chemical Physics. 118: 5364-5368. DOI: 10.1063/1.1555125  0.516
2003 Avramov PV, Kudin KN, Scuseria GE. Single wall carbon nanotubes density of states: Comparison of experiment and theory Chemical Physics Letters. 370: 597-601. DOI: 10.1016/S0009-2614(03)00113-1  0.567
2002 Kudin KN, Scuseria GE, Martin RL. Hybrid density-functional theory and the insulating gap of UO2. Physical Review Letters. 89: 266402. PMID 12484842 DOI: 10.1103/Physrevlett.89.266402  0.57
2002 Improta R, Kudin KN, Scuseria GE, Barone V. Structure and magnetic properties of nitroxide molecular crystals by density functional calculations employing periodic boundary conditions. Journal of the American Chemical Society. 124: 113-20. PMID 11772068 DOI: 10.1021/Ja011704R  0.499
2002 Yazyev OV, Kudin KN, Scuseria GE. Efficient algorithm for band connectivity resolution Physical Review B - Condensed Matter and Materials Physics. 65: 2051171-2051178. DOI: 10.1103/Physrevb.65.205117  0.458
2002 Kudin KN, Scuseria GE, Cancès E. A black-box self-consistent field convergence algorithm: One step closer Journal of Chemical Physics. 116: 8255-8261. DOI: 10.1063/1.1470195  0.505
2001 Bettinger HF, Kudin KN, Scuseria GE. Thermochemistry of fluorinated single wall carbon nanotubes. Journal of the American Chemical Society. 123: 12849-56. PMID 11749543 DOI: 10.1021/Ja010977J  0.452
2001 Improta R, Barone V, Kudin KN, Scuseria GE. Structure and conformational behavior of biopolymers by density functional calculations employing periodic boundary conditions. I. The case of polyglycine, polyalanine, and poly-alpha-aminoisobutyric acid in vacuo. Journal of the American Chemical Society. 123: 3311-22. PMID 11457067 DOI: 10.1021/Ja003680E  0.379
2001 Kudin KN, Scuseria GE, Yakobson BI. C2F, BN, and C nanoshell elasticity from ab initio computations Physical Review B - Condensed Matter and Materials Physics. 64: 2354061-23540610. DOI: 10.1103/Physrevb.64.235406  0.42
2001 Kudin KN, Bettinger HF, Scuseria GE. Fluorinated single-wall carbon nanotubes Physical Review B - Condensed Matter and Materials Physics. 63: 454131-454138. DOI: 10.1103/Physrevb.63.045413  0.466
2001 Ayala PY, Kudin KN, Scuseria GE. Atomic orbital Laplace-transformed second-order Møller–Plesset theory for periodic systems The Journal of Chemical Physics. 115: 9698-9707. DOI: 10.1063/1.1414369  0.525
2001 Kudin KN, Scuseria GE, Schlegel HB. Redundant internal coordinate algorithm for optimization of periodic systems Journal of Chemical Physics. 114: 2919-2923. DOI: 10.1063/1.1340578  0.438
2001 Improta R, Barone V, Kudin KN, Scuseria GE. Conformational behavior of polyglycine as predicted by a density functional model with periodic boundary conditions Journal of Chemical Physics. 114: 2541-2549. DOI: 10.1063/1.1337861  0.522
2000 Kudin KN, Scuseria GE. Analytic stress tensor with the periodic fast multipole method Physical Review B - Condensed Matter and Materials Physics. 61: 5141-5146. DOI: 10.1103/Physrevb.61.5141  0.403
2000 Kudin KN, Scuseria GE. Linear-scaling density-functional theory with Gaussian orbitals and periodic boundary conditions: Efficient evaluation of energy and forces via the fast multipole method Physical Review B - Condensed Matter and Materials Physics. 61: 16440-16453. DOI: 10.1103/Physrevb.61.16440  0.503
2000 Kudin KN. An efficient finite field approach for calculating static electric polarizabilities of periodic systems Journal of Chemical Physics. 113: 7779-7785. DOI: 10.1063/1.1315999  0.349
1999 Kudin KN, Scuseria GE. Range definitions for Gaussian-type charge distributions in fast multipole methods Journal of Chemical Physics. 111: 2351-2356. DOI: 10.1063/1.479513  0.448
1998 Khabashesku VN, Boganov SE, Kudin KN, Margrave JL, Nefedov OM. Vacuum pyrolysis-matrix isolation FTIR and density functional theoretical studies of transient dimethylgermanone, (CH3)2Ge=O Organometallics. 17: 5041-5051. DOI: 10.1021/Om9806803  0.318
1998 Kudin KN, Margrave JL, Khabashesku VN. Ab initio and density functional theoretical studies of structures, vibrational spectra, and dimerization dynamics of simple transient germenes Journal of Physical Chemistry A. 102: 744-753. DOI: 10.1021/Jp972006P  0.335
1998 Khabashesku VN, Kudin KN, Margrave JL. Vibrational analysis of infrared spectra of matrix-isolated transient silenes on basis of density functional theory calculations Journal of Molecular Structure. 443: 175-189. DOI: 10.1016/S0022-2860(97)00398-0  0.333
1998 Kudin KN, Scuseria GE. A fast multipole algorithm for the efficient treatment of the Coulomb problem in electronic structure calculations of periodic systems with Gaussian orbitals Chemical Physics Letters. 289: 611-616. DOI: 10.1016/S0009-2614(98)00468-0  0.505
1998 Kudin KN, Scuseria GE. A fast multipole method for periodic systems with arbitrary unit cell geometries Chemical Physics Letters. 283: 61-68. DOI: 10.1016/S0009-2614(97)01329-8  0.461
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