HistCite - papers citing Rudy Pariser

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#	Date / Author / Journal	LCS	GCS	LCR	CR
2008
4701	4701 Baldea I, Cederbaum LS Unusual Features in Optical Absorption and Photo-Ionisation of Quantum Dot Nano-Rings FRONTIERS IN QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS. 2008; 18: 273-287	0	0	11	60
4702	4702 Hubac I, Wilson S The Non-Adiabatic Molecular Hamiltonian: A Derivation Using Quasiparticle Canonical Transformations FRONTIERS IN QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS. 2008; 18: 403-428	0	0	5	89
4703	4703 Baran R, Hay RJ, Garduno JI Review of antifungal therapy and the severity index for assessing onychomycosis: Part I JOURNAL OF DERMATOLOGICAL TREATMENT. 2008; 19 (2): 72-81	0	13	0	68
4704	4704 Randic M On history of the randic index and emerging hostility toward chemical graph theory MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY. 2008; 59 (1): 5-124	1	29	9	373
4705	4705 Mikhailov IA, Tafur S, Masunov AE Double excitations and state-to-state transition dipoles in pi-pi* excited singlet states of linear polyenes: Time-dependent density- functional theory versus multiconfigurational methods PHYSICAL REVIEW A. 2008 JAN; 77 (1): Art. No. 012510	2	20	13	89
4706	4706 Koch DM, Peslherbe GH Importance of polarization in quantum mechanics/molecular mechanics descriptions of electronic excited states: NaI(H2O)(n) photodissociation dynamics as a case study JOURNAL OF PHYSICAL CHEMISTRY B. 2008 JAN 17; 112 (2): 636-649	0	3	4	52
4707	4707 Hsu CP, You ZQ, Chen HCH Characterization of the short-range couplings in excitation energy transfer JOURNAL OF PHYSICAL CHEMISTRY C. 2008 JAN 31; 112 (4): 1204-1212	0	26	4	43
4708	4708 Sun MT, Chen JN, Xu HX Visualizations of transition dipoles, charge transfer, and electron- hole coherence on electronic state transitions between excited states for two-photon absorption JOURNAL OF CHEMICAL PHYSICS. 2008 FEB 14; 128 (6): Art. No. 064106	0	10	6	50
4709	4709 George RB, Habib AS, Allen TK, Muir HA Brief report: A randomized controlled trial of Synera (TM) versus lidocaine for epidural needle insertion in labouring parturients CANADIAN JOURNAL OF ANAESTHESIA-JOURNAL CANADIEN D ANESTHESIE. 2008 MAR; 55 (3): 168-171	1	2	0	10
4710	4710 Jouanna P, Pedesseau L, Pepe G, Mainprice D Mass and momentum interface equilibrium by molecular modeling. Simulating AFM adhesion between (120) gypsum faces in a saturated solution and consequences on gypsum cohesion CEMENT AND CONCRETE RESEARCH. 2008 MAR; 38 (3): 290-299	0	6	4	23
#	Date / Author / Journal	LCS	GCS	LCR	CR
4711	4711 Bialek-Bylka GE, Kakitani Y, Li C, Koyama Y, Kuki M, et al. Excitation followed by stimulated-emission from diabatic levels in all- trans- and 15-cis-beta-carotenes: Effects of molecular symmetry and solvent polarity CHEMICAL PHYSICS LETTERS. 2008 MAR 20; 454 (4-6): 367-373	1	5	5	16
4712	4712 Cong H, Niedzwiedzki DM, Gibson GN, Frank HA Ultrafast time-resolved spectroscopy of xanthophylls at low temperature JOURNAL OF PHYSICAL CHEMISTRY B. 2008 MAR 20; 112 (11): 3558-3567	0	21	11	58
4713	4713 Randic M, Balaban AT Ring signatures for benzenoids with up to seven rings, part 1: Catacondensed systems INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2008 APR; 108 (5): 865-897	0	10	7	92
4714	4714 Lakshmi GBVS, Siddiqui AM, Ali V, Kulriya PK, Zulfequar M Effects of 60 MeV C5+ ion irradiation on PmT-PVC and p-TSA doped PoT- PVC blends NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS. 2008 APR; 266 (8): 1685-1691	1	3	1	29
4715	4715 Ghosh D, Hachmann J, Yanai T, Chan GKL Orbital optimization in the density matrix renormalization group, with applications to polyenes and ss-carotene JOURNAL OF CHEMICAL PHYSICS. 2008 APR 14; 128 (14): Art. No. 144117	2	36	17	99
4716	4716 Sterpone F, Rossky PJ Molecular Modeling and simulation of conjugated polymer oligomers: Ground and excited state chain dynamics of PPV in the gas phase JOURNAL OF PHYSICAL CHEMISTRY B. 2008 APR 24; 112 (16): 4983-4993	2	7	8	68
4717	4717 Iron MA, Heyden A, Staszewska G, Truhlar DG Tight-binding configuration interaction (TBCI): A noniterative approach to incorporating electrostatics into tight binding JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 2008 MAY; 4 (5): 804-818	0	2	5	124
4718	4718 Ayers PW, Parr RG Local hardness equalization: Exploiting the ambiguity JOURNAL OF CHEMICAL PHYSICS. 2008 MAY 14; 128 (18): Art. No. 184108	0	23	6	70
4719	4719 Li QX, Chen LP, Li QK, Shuai ZG Electron correlation effects on the nonlinear optical properties of conjugated polyenes CHEMICAL PHYSICS LETTERS. 2008 MAY 20; 457 (1-3): 276-278	0	3	4	26
4720	4720 Kulikovska O, Goldenberg LM, Kulikovsky L, Stumpe J Smart ionic sol-gel-based azobenzene materials for optical generation of microstructures CHEMISTRY OF MATERIALS. 2008 MAY 27; 20 (10): 3528-3534	0	39	1	43
#	Date / Author / Journal	LCS	GCS	LCR	CR
4721	4721 Salzner U Investigation of charge carriers in doped thiophene oligomers through theoretical modeling of their UV/vis spectra JOURNAL OF PHYSICAL CHEMISTRY A. 2008 JUN 19; 112 (24): 5458-5466	2	16	8	134
4722	4722 Alkan F, Salzner U Theoretical investigation of excited states of oligothiophene anions JOURNAL OF PHYSICAL CHEMISTRY A. 2008 JUL 10; 112 (27): 6053-6058	1	5	2	76
4723	4723 Matsuura A, Sato H, Sotoyama W, Takahashi A, Sakurai M AM1, PM3, and PM5 calculations of the absorption maxima of basic organic dyes JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 2008 JUL 15; 860 (1-3): 119-127	0	7	9	67
4724	4724 Li QX, Yi YP, Shuai ZG Local approach to coupled cluster evaluation of polarizabilities for long conjugated molecules JOURNAL OF COMPUTATIONAL CHEMISTRY. 2008 JUL 30; 29 (10): 1650-1655	1	7	6	67
4725	4725 Kostyrko T, Krompiewski S A model of a tunable quantum dot in a semiconducting carbon nanotube SEMICONDUCTOR SCIENCE AND TECHNOLOGY. 2008 AUG; 23 (8): Art. No. 085024	0	1	1	41
4726	4726 Mukhopadhyay S, Topham BJ, Soos ZG, Ramasesha S Neutral and charged excited states in polar organic films: Origin of unusual electroluminescence in tri-p-tolylamine-based hole conductors JOURNAL OF PHYSICAL CHEMISTRY A. 2008 AUG 7; 112 (31): 7271-7279	1	4	4	45
4727	4727 Cong H, Niedzwiedzki DM, Gibson GN, LaFountain AM, Kelsh RM, et al. Ultrafast time-resolved carotenoid to-bacteriochlorophyll energy transfer in LH2 complexes from photosynthetic bacteria JOURNAL OF PHYSICAL CHEMISTRY B. 2008 AUG 28; 112 (34): 10689-10703	0	20	13	84
4728	4728 Marian CM, Gilka N Performance of the density functional theory/multireference configuration interaction method on electronic excitation of extended pi-systems JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 2008 SEP; 4 (9): 1501-1515	7	38	12	100
4729	4729 Chatterjee N, Niedzwiedzki DM, Kajikawa T, Hasegawa S, Katsumura S, et al. Effect of pi-electron conjugation length on the solvent-dependent S-1 lifetime of peridinin CHEMICAL PHYSICS LETTERS. 2008 SEP 22; 463 (1-3): 219-224	3	16	5	35
4730	4730 Malysheva L, Onipko A From acene to graphene spectrum of pi electrons with the use of the Green's function PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS. 2008 OCT; 245 (10): 2132-2136	1	4	2	35
#	Date / Author / Journal	LCS	GCS	LCR	CR
4731	4731 Evans JS, Cheng CL, Van Voorhis T Spin-charge separation in molecular wire conductance simulations PHYSICAL REVIEW B. 2008 OCT; 78 (16): Art. No. 165108	1	5	4	130
4732	4732 Barboiu V, Avadanei MI Proposed solution for the Flory-Charlesby equation for crosslinked polymers and application for 1,2-polybutadiene crosslinked with AIBN and aryl diazide POLYMER. 2008 OCT 6; 49 (21): 4687-4694	0	2	1	35
4733	4733 Zhang J, Hu CP Synthesis, characterization and mechanical properties of polyester- based aliphatic polyurethane elastomers containing hyperbranched polyester segments EUROPEAN POLYMER JOURNAL. 2008 NOV; 44 (11): 3708-3714	0	13	1	23
4734	4734 Okur S, Salzner U Theoretical Modeling of the Doping Process in Polypyrrole by Calculating UV/Vis Absorption Spectra of Neutral and Charged Oligomers JOURNAL OF PHYSICAL CHEMISTRY A. 2008 NOV 20; 112 (46): 11842-11853	1	10	2	114
4735	4735 Wang ZD, Mazumdar S, Shukla A Photophysics of charge-transfer excitons in thin films of pi-conjugated polymers PHYSICAL REVIEW B. 2008 DEC; 78 (23): Art. No. 235109	2	14	5	56
4736	4736 Onipko A Spectrum of pi electrons in graphene as an alternant macromolecule and its specific features in quantum conductance PHYSICAL REVIEW B. 2008 DEC; 78 (24): Art. No. 245412	1	17	2	60
2009
4737	4737 El-Gamel NEA, Brand J, Kroke E Synthesis, spectroscopic characterization, and X-ray crystal structure of tris(trimethylsilyl)cyanurate JOURNAL OF COORDINATION CHEMISTRY. 2009; 62 (8): 1278-1284	0	1	2	50
4738	4738 Klimenko TA, Ivanov VV, Adamowicz L Dipole polarizabilities and hyperpolarizabilities of the small conjugated systems in the -electron coupled cluster theory MOLECULAR PHYSICS. 2009; 107 (17): 1729-1737	0	1	5	30
4739	4739 Hawke LGD, Kalosakas G, Simserides C Empirical LCAO parameters for molecular orbitals in planar organic molecules MOLECULAR PHYSICS. 2009; 107 (17): 1755-1771	0	1	13	181
4740	4740 Marian CM, Kock SC, Hundsdorfer C, Martin HD, Stahl W, et al. Spectroscopic properties of phenolic and quinoid carotenoids: a combined theoretical and experimental study PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES. 2009; 8 (2): 270-278	2	7	6	43
#	Date / Author / Journal	LCS	GCS	LCR	CR
4741	4741 Bredow T, Dronskowski R, Ebert H, Jug K Theory and computer simulation of perfect and defective solids PROGRESS IN SOLID STATE CHEMISTRY. 2009; 37 (2-3): 70-80	0	0	6	226
4742	4742 Lakshmi GBVS, Ali V, Siddiqui AM, Kulriya PK, Zulfequar M Studies on structural, optical and cluster size of poly(m-toluidine)- polyvinyl chloride blends RADIATION EFFECTS AND DEFECTS IN SOLIDS. 2009; 164 (3): 162-169	0	1	3	32
4743	4743 Dykstra TE, Hennebicq E, Beljonne D, Gierschner J, Claudio G, et al. Conformational Disorder and Ultrafast Exciton Relaxation in PPV-family Conjugated Polymers JOURNAL OF PHYSICAL CHEMISTRY B. 2009 JAN 22; 113 (3): 656-667	0	29	7	138
4744	4744 Kleinschmidt M, Marian CM, Waletzke M, Grimme S Parallel multireference configuration interaction calculations on mini- beta-carotenes and beta-carotene JOURNAL OF CHEMICAL PHYSICS. 2009 JAN 28; 130 (4): Art. No. 044708	0	10	5	56
4745	4745 Tian WQ, Yu M, Leahy C, Jayanthi CS, Wu SY The Self-Consistent and Environment-Dependent Hamiltonian and Its Application to Carbon Nanoparticles JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE. 2009 FEB; 6 (2): 390-396	1	3	4	46
4746	4746 Yang DY, Qiu FX, Zhang P Preparation and water resistance of crosslinked waterborne polyurethaneurea PLASTICS RUBBER AND COMPOSITES. 2009 FEB; 38 (1): 33-38	0	1	1	17
4747	4747 Kubala D, Drage EA, Al-Faydhi AME, Kocisek J, Papp P, et al. Electron impact ionisation and UV absorption study of alpha- and beta- pinene INTERNATIONAL JOURNAL OF MASS SPECTROMETRY. 2009 FEB 1; 280 (1-3): 169-173	0	0	2	31
4748	4748 Casolo S, Lovvik OM, Martinazzo R, Tantardini GF Understanding adsorption of hydrogen atoms on graphene JOURNAL OF CHEMICAL PHYSICS. 2009 FEB 7; 130 (5): Art. No. 054704	0	74	5	99
4749	4749 Verges JA, Chiappe G, Louis E, Pastor-Abia L, SanFabian E Magnetic molecules created by hydrogenation of polycyclic aromatic hydrocarbons PHYSICAL REVIEW B. 2009 MAR; 79 (9): Art. No. 094403	2	6	4	42
4750	4750 Wang ZD, Psiachos D, Badilla RF, Mazumdar S Electron-electron interaction effects on the photophysics of metallic single-walled carbon nanotubes JOURNAL OF PHYSICS-CONDENSED MATTER. 2009 MAR 4; 21 (9): Art. No. 095009	0	6	4	55
#	Date / Author / Journal	LCS	GCS	LCR	CR
4751	4751 Psiachos D, Mazumdar S Correlated-electron description of the photophysics of thin films of pi-conjugated polymers PHYSICAL REVIEW B. 2009 APR; 79 (15): Art. No. 155106	2	10	6	40
4752	4752 Baba M, Saitoh M, Taguma K, Shinohara K, Yoshida K, et al. Structure and excited-state dynamics of anthracene: Ultrahigh- resolution spectroscopy and theoretical calculation JOURNAL OF CHEMICAL PHYSICS. 2009 APR 7; 130 (13): Art. No. 134315	0	4	10	39
4753	4753 Sterpone F, Bedard-Hearn MJ, Rossky PJ Nonadiabatic Mixed Quantum-Classical Dynamic Simulation of pi-Stacked Oligophenylenevinylenes JOURNAL OF PHYSICAL CHEMISTRY A. 2009 APR 16; 113 (15): 3427-3430	2	4	7	24
4754	4754 Sahu S, Shukla A Fortran 90 implementation of the Hartree-Fock approach within the CNDO/2 and INDO models COMPUTER PHYSICS COMMUNICATIONS. 2009 MAY; 180 (5): 724-734	0	1	0	30
4755	4755 Yoshida K, Semba Y, Kasahara S, Yamanaka T, Baba M High-resolution spectroscopy of weak and short-lived bands of the S-1 B-1(3u)<- S-0 (1)A(g) transition of naphthalene JOURNAL OF CHEMICAL PHYSICS. 2009 MAY 21; 130 (19): Art. No. 194304	0	4	8	32
4756	4756 Ameen S, Lakshmi GBVS, Husain M Synthesis and characterization of polyaniline prepared with the dopant mixture of (ZrO2/PbI2) JOURNAL OF PHYSICS D-APPLIED PHYSICS. 2009 MAY 21; 42 (10): Art. No. 105104	0	5	1	33
4757	4757 Saubanere M, Pastor GM Scaling and transferability of the interaction-energy functional of the inhomogeneous Hubbard model PHYSICAL REVIEW B. 2009 JUN; 79 (23): Art. No. 235101	1	4	6	41
4758	4758 Darau D, Begemann G, Donarini A, Grifoni M Interference effects on the transport characteristics of a benzene single-electron transistor PHYSICAL REVIEW B. 2009 JUN; 79 (23): Art. No. 235404	2	19	2	46
4759	4759 Marumoto K, Kato M, Kondo H, Kuroda S, Greenham NC, et al. Electron spin resonance and electron nuclear double resonance of photogenerated polarons in polyfluorene and its fullerene composite PHYSICAL REVIEW B. 2009 JUN; 79 (24): Art. No. 245204	0	7	4	57
4760	4760 Ahn SI, Eom S, Kim YK, Oh JM, Kim YT, et al. The Study on Antifungal Therapy for the Onychomycosis: Part I TISSUE ENGINEERING AND REGENERATIVE MEDICINE. 2009 JUN; 6 (4-11): 963-971	0	1	0	72
#	Date / Author / Journal	LCS	GCS	LCR	CR
4761	4761 Gao K, Gao Kun Xie SJ, Xie Shi-Jie Li Y, Li Yuan Yin S, Yin Sun Liu DS, et al. Effect of interchain coupling on a biexciton in organic polymers CHINESE PHYSICS B. 2009 JUL; 18 (7): 2961-2966	0	4	2	31
4762	4762 Wasserman LA, Vasil'ev VG, Motyakin MV, Blaszchak W, Fornal J, et al. Influence of Gluten and Gum Additives and Cryogenic Treatment on Some Properties and Morphology of Wheat Starch Complex Gels STARCH-STARKE. 2009 JUL; 61 (7): 377-388	0	1	1	41
4763	4763 Sony P, Shukla A Large-scale correlated study of excited state absorptions in naphthalene and anthracene JOURNAL OF CHEMICAL PHYSICS. 2009 JUL 7; 131 (1): Art. No. 014302	2	5	16	33
4764	4764 Evans JS, Vydrov OA, Van Voorhis T Exchange and correlation in molecular wire conductance: Nonlocality is the key JOURNAL OF CHEMICAL PHYSICS. 2009 JUL 21; 131 (3): Art. No. 034106	0	6	4	103
4765	4765 Poveda JC, Guerrero A, Alvarez I, Cisneros C Two, three and four photon absorption of naphthalene REVISTA MEXICANA DE FISICA. 2009 AUG; 55 (4): 312-320	0	1	2	28
4766	4766 Mukhopadhyay S, Ramasesha S Study of linear and nonlinear optical properties of dendrimers using density matrix renormalization group method JOURNAL OF CHEMICAL PHYSICS. 2009 AUG 21; 131 (7): Art. No. 074111	0	1	5	30
4767	4767 Arif M, Mukhopadhyay S, Ramasesha S, Guha S The role of triplet states in the emission mechanism of polymer light- emitting diodes EPL. 2009 SEP; 87 (5): Art. No. 57008	1	1	3	24
4768	4768 Zhang J, Zhang Jie Hu CP SYNTHESIS, CHARACTERIZATION AND MECHANICAL PROPERTIES OF POLYETHER- BASED ALIPHATIC POLYURETHANE ELASTOMERS COMPOSED OF HYPERBRANCHED POLYESTER SEGMENTS ACTA POLYMERICA SINICA. 2009 SEP 20; (9): 867-873	0	2	1	21
4769	4769 Brown SJ Efficacy of Fluconazole for the Treatment of Onychomycosis ANNALS OF PHARMACOTHERAPY. 2009 OCT; 43 (10): 1684-1691	0	2	2	28
4770	4770 Lakshmi GBVS, Dhillon A, Siddiqui AM, Zulfequar M, Avasthi DK RF-plasma polymerization and characterization of polyaniline EUROPEAN POLYMER JOURNAL. 2009 OCT; 45 (10): 2873-2877	0	2	1	28
#	Date / Author / Journal	LCS	GCS	LCR	CR
4771	4771 Niedzwiedzki DM, Chatterjee N, Enriquez MM, Kajikawa T, Hasegawa S, et al. Spectroscopic Investigation of Peridinin Analogues Having Different pi- Electron Conjugated Chain Lengths: Exploring the Nature of the Intramolecular Charge Transfer State JOURNAL OF PHYSICAL CHEMISTRY B. 2009 OCT 15; 113 (41): 13604-13612	2	12	3	33
4772	4772 Falden HH, Falster-Hansen KR, Bak KL, Rettrup S, Sauer SPA Benchmarking Second Order Methods for the Calculation of Vertical Electronic Excitation Energies: Valence and Rydberg States in Polycyclic Aromatic Hydrocarbons JOURNAL OF PHYSICAL CHEMISTRY A. 2009 OCT 29; 113 (43): 11995-12012	0	5	17	161
4773	4773 Yu M, Wu SY, Jayanthi CS A self-consistent and environment-dependent Hamiltonian for large-scale simulations of complex nanostructures PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES. 2009 NOV; 42 (1): 1-16	0	2	6	146
4774	4774 Linares M, Hultell M, Stafstrom S The effect of lattice dynamics on electron localization in poly-(para- phenylenevinylene) SYNTHETIC METALS. 2009 NOV; 159 (21-22): 2219-2221	0	2	3	18
4775	4775 Rivero P, Loschen C, Moreira IDR, Illas F Performance of Plane-Wave-Based LDA plus U and GGA plus U Approaches to Describe Magnetic Coupling in Molecular Systems JOURNAL OF COMPUTATIONAL CHEMISTRY. 2009 NOV 15; 30 (14): 2316-2326	0	13	2	82
4776	4776 Niehaus TA Approximate time-dependent density functional theory JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 2009 NOV 30; 914 (1-3): 38-49	0	5	7	114
4777	4777 Rincon J, Hallberg K, Aligia AA, Ramasesha S Quantum Interference in Coherent Molecular Conductance PHYSICAL REVIEW LETTERS. 2009 DEC 31; 103 (26): Art. No. 266807	1	8	3	29
2010
4778	4778 Michalek J, Pradny M, Dusek K, Duskova M, Hobzova R, et al. HYDROGELS IN BIOLOGY AND MEDICINE ADVANCES IN MEDICINE AND BIOLOGY, VOL 2. 2010; 2: 1-55	0	0	1	163
4779	4779 Michalek J, Pradny M, Dusek K, Duskova M, Hobzova R, et al. HYDROGELS IN BIOLOGY AND MEDICINE BIOMATERIALS DEVELOPMENTS AND APPLICATIONS. 2010; : 177-230	0	0	1	161
4780	4780 Lee SU, Kim JC, Mizuseki H, Kawazoe Y The Origin of the Halogen Effect on the Phthalocyanine Green Pigments CHEMISTRY-AN ASIAN JOURNAL. 2010; 5 (6): 1341-1346	0	1	5	44
#	Date / Author / Journal	LCS	GCS	LCR	CR
4781	4781 Croxtall JD Lidocaine/Tetracaine Medicated Plaster In Minor Dermatological and Needle Puncture Procedures DRUGS. 2010; 70 (16): 2113-2120	0	0	1	24
4782	4782 Ohrn Y, Linderberg J Propagators and their implications MOLECULAR PHYSICS. 2010; 108 (21-23): 2899-2904	0	0	7	39
4783	4783 Scridonesi-Calin V THE MO-SCF QUANTUM APPROACH OF THE 4-BUTYL-OXY-BENZAL-4 ETHYL-ANILINE (BBEA) MOLECULE. (I) QUANTUM ENERGETIC MOLECULAR CHARACTERISTICS UNIVERSITY POLITEHNICA OF BUCHAREST SCIENTIFIC BULLETIN-SERIES A- APPLIED MATHEMATICS AND PHYSICS. 2010; 72 (2): 155-164	0	0	4	18
4784	4784 Kumar M, Ramasesha S Low-lying states of transverse substituted trans-polyacetylene and trans-polyacetylene: A comparative DMRG study PHYSICAL REVIEW B. 2010 JAN; 81 (3): Art. No. 035115	1	3	7	28
4785	4785 Barcza G, Legeza O, Gebhard F, Noack RM Density matrix renormalization group study of excitons in polydiacetylene chains PHYSICAL REVIEW B. 2010 JAN; 81 (4): Art. No. 045103	0	4	3	46
4786	4786 Mukhopadhyay S, Ramasesha S, Guha S Role of the triplet state in the green emission peak of polyfluorene films: A time evolution study JOURNAL OF CHEMICAL PHYSICS. 2010 JAN 28; 132 (4): Art. No. 044104	0	0	7	46
4787	4787 Schwerin AF, Johnson JC, Smith MB, Sreearunothai P, Popovic D, et al. Toward Designed Singlet Fission: Electronic States and Photophysics of 1,3-Diphenylisobenzofuran JOURNAL OF PHYSICAL CHEMISTRY A. 2010 JAN 28; 114 (3): 1457-1473	2	9	8	76
4788	4788 Wiles MD, Dobson SA, Moppett IK The effect of a new topical local anaesthetic delivery system on forearm skin blood flow reactivity ANAESTHESIA. 2010 FEB; 65 (2): 178-183	0	1	0	31
4789	4789 Kaasbjerg K, Thygesen KS Benchmarking GW against exact diagonalization for semiempirical models PHYSICAL REVIEW B. 2010 FEB; 81 (8): Art. No. 085102	1	8	5	45
4790	4790 Verges JA, SanFabian E, Chiappe G, Louis E Fit of Pariser-Parr-Pople and Hubbard model Hamiltonians to charge and spin states of polycyclic aromatic hydrocarbons PHYSICAL REVIEW B. 2010 FEB; 81 (8): Art. No. 085120	1	5	8	55
#	Date / Author / Journal	LCS	GCS	LCR	CR
4791	4791 Makhiyanov N, Khachaturov AS The Structure of Chain Segments and H-1 NMR Spectra of Polychloroprene POLYMER SCIENCE SERIES A. 2010 FEB; 52 (2): 209-219	0	0	1	27
4792	4792 Kukushkin AK, Jalkanen KJ Role of quantum chemical calculations in molecular biophysics with a historical perspective THEORETICAL CHEMISTRY ACCOUNTS. 2010 MAR; 125 (3-6): 121-144	0	0	10	245
4793	4793 Luzanov AV, Zhikol OA Electron Invariants and Excited State Structural Analysis for Electronic Transitions Within CIS, RPA, and TDDFT Models INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2010 MAR 15; 110 (4): 902-924	0	8	5	150
4794	4794 Das M, Ramasesha S Fluorescent resonant excitation energy transfer in linear polyenes JOURNAL OF CHEMICAL PHYSICS. 2010 MAR 28; 132 (12): Art. No. 124109	0	2	6	37
4795	4795 Sony P, Shukla A A general purpose Fortran 90 electronic structure program for conjugated systems using Pariser-Parr-Pople model COMPUTER PHYSICS COMMUNICATIONS. 2010 APR; 181 (4): 821-830	0	1	6	45
4796	4796 Klochko OP, Fedyunyayeva IA, Khabuseva SU, Semenova OM, Terpetschnig EA, et al. Benzodipyrrolenine-based biscyanine dyes: Synthesis, molecular structure and spectroscopic characterization DYES AND PIGMENTS. 2010 APR; 85 (1-2): 7-15	1	1	1	38
4797	4797 Lu Y, Liu H, Gu B Exciton distribution on single-walled carbon nanotube EUROPEAN PHYSICAL JOURNAL B. 2010 APR; 74 (4): 499-506	0	2	6	29
4798	4798 Koyama Y, Kakitani Y, Miki T, Christiana R, Nagae H Excited-State Dynamics of Overlapped Optically-Allowed 1B(u)(+) and Optically-Forbidden 1B(u)(-) or 3A(g)(-) Vibronic Levels of Carotenoids: Possible Roles in the Light-Harvesting Function INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES. 2010 APR; 11 (4): 1888-1929	1	3	8	34
4799	4799 Korichi H, Zouchoune F, Zendaoui SM, Zouchoune B, Saillard JY The Coordination Chemistry of Azulene: A Comprehensive DFT Investigation ORGANOMETALLICS. 2010 APR 12; 29 (7): 1693-1706	0	2	2	74
4800	4800 Salzner U Effects of Perfluorination on Thiophene and Pyrrole Oligomers JOURNAL OF PHYSICAL CHEMISTRY A. 2010 APR 29; 114 (16): 5397-5405	0	4	4	70

Date / Author / Journal

LCS

GCS

LCR

2008

4701

4701 Baldea I, Cederbaum LS

Unusual Features in Optical Absorption and Photo-Ionisation of Quantum Dot Nano-Rings

FRONTIERS IN QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS. 2008; 18: 273-287

4702

4702 Hubac I, Wilson S

The Non-Adiabatic Molecular Hamiltonian: A Derivation Using Quasiparticle Canonical Transformations

FRONTIERS IN QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS. 2008; 18: 403-428

4703

4703 Baran R, Hay RJ, Garduno JI

Review of antifungal therapy and the severity index for assessing onychomycosis: Part I

JOURNAL OF DERMATOLOGICAL TREATMENT. 2008; 19 (2): 72-81

4704

4704 Randic M

On history of the randic index and emerging hostility toward chemical graph theory

MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY. 2008; 59 (1): 5-124

373

4705

4705 Mikhailov IA, Tafur S, Masunov AE

Double excitations and state-to-state transition dipoles in pi-pi* excited singlet states of linear polyenes: Time-dependent density- functional theory versus multiconfigurational methods

PHYSICAL REVIEW A. 2008 JAN; 77 (1): Art. No. 012510

4706

4706 Koch DM, Peslherbe GH

Importance of polarization in quantum mechanics/molecular mechanics descriptions of electronic excited states: NaI(H2O)(n) photodissociation dynamics as a case study

JOURNAL OF PHYSICAL CHEMISTRY B. 2008 JAN 17; 112 (2): 636-649

4707

4707 Hsu CP, You ZQ, Chen HCH

Characterization of the short-range couplings in excitation energy transfer

JOURNAL OF PHYSICAL CHEMISTRY C. 2008 JAN 31; 112 (4): 1204-1212

4708

4708 Sun MT, Chen JN, Xu HX

Visualizations of transition dipoles, charge transfer, and electron- hole coherence on electronic state transitions between excited states for two-photon absorption

JOURNAL OF CHEMICAL PHYSICS. 2008 FEB 14; 128 (6): Art. No. 064106

4709

4709 George RB, Habib AS, Allen TK, Muir HA

Brief report: A randomized controlled trial of Synera (TM) versus lidocaine for epidural needle insertion in labouring parturients

CANADIAN JOURNAL OF ANAESTHESIA-JOURNAL CANADIEN D ANESTHESIE. 2008 MAR; 55 (3): 168-171

4710

4710 Jouanna P, Pedesseau L, Pepe G, Mainprice D

Mass and momentum interface equilibrium by molecular modeling. Simulating AFM adhesion between (120) gypsum faces in a saturated solution and consequences on gypsum cohesion

CEMENT AND CONCRETE RESEARCH. 2008 MAR; 38 (3): 290-299

Date / Author / Journal

LCS

GCS

LCR

4711

4711 Bialek-Bylka GE, Kakitani Y, Li C, Koyama Y, Kuki M, et al.

Excitation followed by stimulated-emission from diabatic levels in all- trans- and 15-cis-beta-carotenes: Effects of molecular symmetry and solvent polarity

CHEMICAL PHYSICS LETTERS. 2008 MAR 20; 454 (4-6): 367-373

4712

4712 Cong H, Niedzwiedzki DM, Gibson GN, Frank HA

Ultrafast time-resolved spectroscopy of xanthophylls at low temperature

JOURNAL OF PHYSICAL CHEMISTRY B. 2008 MAR 20; 112 (11): 3558-3567

4713

4713 Randic M, Balaban AT

Ring signatures for benzenoids with up to seven rings, part 1: Catacondensed systems

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2008 APR; 108 (5): 865-897

4714

4714 Lakshmi GBVS, Siddiqui AM, Ali V, Kulriya PK, Zulfequar M

Effects of 60 MeV C5+ ion irradiation on PmT-PVC and p-TSA doped PoT- PVC blends

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS. 2008 APR; 266 (8): 1685-1691

4715

4715 Ghosh D, Hachmann J, Yanai T, Chan GKL

Orbital optimization in the density matrix renormalization group, with applications to polyenes and ss-carotene

JOURNAL OF CHEMICAL PHYSICS. 2008 APR 14; 128 (14): Art. No. 144117

4716

4716 Sterpone F, Rossky PJ

Molecular Modeling and simulation of conjugated polymer oligomers: Ground and excited state chain dynamics of PPV in the gas phase

JOURNAL OF PHYSICAL CHEMISTRY B. 2008 APR 24; 112 (16): 4983-4993

4717

4717 Iron MA, Heyden A, Staszewska G, Truhlar DG

Tight-binding configuration interaction (TBCI): A noniterative approach to incorporating electrostatics into tight binding

JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 2008 MAY; 4 (5): 804-818

124

4718

4718 Ayers PW, Parr RG

Local hardness equalization: Exploiting the ambiguity

JOURNAL OF CHEMICAL PHYSICS. 2008 MAY 14; 128 (18): Art. No. 184108

4719

4719 Li QX, Chen LP, Li QK, Shuai ZG

Electron correlation effects on the nonlinear optical properties of conjugated polyenes

CHEMICAL PHYSICS LETTERS. 2008 MAY 20; 457 (1-3): 276-278

4720

4720 Kulikovska O, Goldenberg LM, Kulikovsky L, Stumpe J

Smart ionic sol-gel-based azobenzene materials for optical generation of microstructures

CHEMISTRY OF MATERIALS. 2008 MAY 27; 20 (10): 3528-3534

Date / Author / Journal

4721

Investigation of charge carriers in doped thiophene oligomers through theoretical modeling of their UV/vis spectra

JOURNAL OF PHYSICAL CHEMISTRY A. 2008 JUN 19; 112 (24): 5458-5466

134

4722

4722 Alkan F, Salzner U

Theoretical investigation of excited states of oligothiophene anions

JOURNAL OF PHYSICAL CHEMISTRY A. 2008 JUL 10; 112 (27): 6053-6058

4723

4723 Matsuura A, Sato H, Sotoyama W, Takahashi A, Sakurai M

AM1, PM3, and PM5 calculations of the absorption maxima of basic organic dyes

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 2008 JUL 15; 860 (1-3): 119-127

4724

4724 Li QX, Yi YP, Shuai ZG

Local approach to coupled cluster evaluation of polarizabilities for long conjugated molecules

JOURNAL OF COMPUTATIONAL CHEMISTRY. 2008 JUL 30; 29 (10): 1650-1655

4725

4725 Kostyrko T, Krompiewski S

A model of a tunable quantum dot in a semiconducting carbon nanotube

SEMICONDUCTOR SCIENCE AND TECHNOLOGY. 2008 AUG; 23 (8): Art. No. 085024

4726

4726 Mukhopadhyay S, Topham BJ, Soos ZG, Ramasesha S

Neutral and charged excited states in polar organic films: Origin of unusual electroluminescence in tri-p-tolylamine-based hole conductors

JOURNAL OF PHYSICAL CHEMISTRY A. 2008 AUG 7; 112 (31): 7271-7279

4727

4727 Cong H, Niedzwiedzki DM, Gibson GN, LaFountain AM, Kelsh RM, et al.

Ultrafast time-resolved carotenoid to-bacteriochlorophyll energy transfer in LH2 complexes from photosynthetic bacteria

JOURNAL OF PHYSICAL CHEMISTRY B. 2008 AUG 28; 112 (34): 10689-10703

4728

4728 Marian CM, Gilka N

Performance of the density functional theory/multireference configuration interaction method on electronic excitation of extended pi-systems

JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 2008 SEP; 4 (9): 1501-1515

100

4729

4729 Chatterjee N, Niedzwiedzki DM, Kajikawa T, Hasegawa S, Katsumura S, et al.

Effect of pi-electron conjugation length on the solvent-dependent S-1 lifetime of peridinin

CHEMICAL PHYSICS LETTERS. 2008 SEP 22; 463 (1-3): 219-224

4730

4730 Malysheva L, Onipko A

From acene to graphene spectrum of pi electrons with the use of the Green's function

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS. 2008 OCT; 245 (10): 2132-2136

Date / Author / Journal

LCS

GCS

LCR

4731

4731 Evans JS, Cheng CL, Van Voorhis T

Spin-charge separation in molecular wire conductance simulations

PHYSICAL REVIEW B. 2008 OCT; 78 (16): Art. No. 165108

130

4732

4732 Barboiu V, Avadanei MI

Proposed solution for the Flory-Charlesby equation for crosslinked polymers and application for 1,2-polybutadiene crosslinked with AIBN and aryl diazide

POLYMER. 2008 OCT 6; 49 (21): 4687-4694

4733

4733 Zhang J, Hu CP

Synthesis, characterization and mechanical properties of polyester- based aliphatic polyurethane elastomers containing hyperbranched polyester segments

EUROPEAN POLYMER JOURNAL. 2008 NOV; 44 (11): 3708-3714

4734

4734 Okur S, Salzner U

Theoretical Modeling of the Doping Process in Polypyrrole by Calculating UV/Vis Absorption Spectra of Neutral and Charged Oligomers

JOURNAL OF PHYSICAL CHEMISTRY A. 2008 NOV 20; 112 (46): 11842-11853

114

4735

4735 Wang ZD, Mazumdar S, Shukla A

Photophysics of charge-transfer excitons in thin films of pi-conjugated polymers

PHYSICAL REVIEW B. 2008 DEC; 78 (23): Art. No. 235109

4736

4736 Onipko A

Spectrum of pi electrons in graphene as an alternant macromolecule and its specific features in quantum conductance

PHYSICAL REVIEW B. 2008 DEC; 78 (24): Art. No. 245412

2009

4737

4737 El-Gamel NEA, Brand J, Kroke E

Synthesis, spectroscopic characterization, and X-ray crystal structure of tris(trimethylsilyl)cyanurate

JOURNAL OF COORDINATION CHEMISTRY. 2009; 62 (8): 1278-1284

4738

4738 Klimenko TA, Ivanov VV, Adamowicz L

Dipole polarizabilities and hyperpolarizabilities of the small conjugated systems in the -electron coupled cluster theory

MOLECULAR PHYSICS. 2009; 107 (17): 1729-1737

4739

4739 Hawke LGD, Kalosakas G, Simserides C

Empirical LCAO parameters for molecular orbitals in planar organic molecules

MOLECULAR PHYSICS. 2009; 107 (17): 1755-1771

181

4740

4740 Marian CM, Kock SC, Hundsdorfer C, Martin HD, Stahl W, et al.

Spectroscopic properties of phenolic and quinoid carotenoids: a combined theoretical and experimental study

PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES. 2009; 8 (2): 270-278

Date / Author / Journal

LCS

GCS

LCR

4741

4741 Bredow T, Dronskowski R, Ebert H, Jug K

Theory and computer simulation of perfect and defective solids

PROGRESS IN SOLID STATE CHEMISTRY. 2009; 37 (2-3): 70-80

226

4742

4742 Lakshmi GBVS, Ali V, Siddiqui AM, Kulriya PK, Zulfequar M

Studies on structural, optical and cluster size of poly(m-toluidine)- polyvinyl chloride blends

RADIATION EFFECTS AND DEFECTS IN SOLIDS. 2009; 164 (3): 162-169

4743

4743 Dykstra TE, Hennebicq E, Beljonne D, Gierschner J, Claudio G, et al.

Conformational Disorder and Ultrafast Exciton Relaxation in PPV-family Conjugated Polymers

JOURNAL OF PHYSICAL CHEMISTRY B. 2009 JAN 22; 113 (3): 656-667

138

4744

4744 Kleinschmidt M, Marian CM, Waletzke M, Grimme S

Parallel multireference configuration interaction calculations on mini- beta-carotenes and beta-carotene

JOURNAL OF CHEMICAL PHYSICS. 2009 JAN 28; 130 (4): Art. No. 044708

4745

4745 Tian WQ, Yu M, Leahy C, Jayanthi CS, Wu SY

The Self-Consistent and Environment-Dependent Hamiltonian and Its Application to Carbon Nanoparticles

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE. 2009 FEB; 6 (2): 390-396

4746

4746 Yang DY, Qiu FX, Zhang P

Preparation and water resistance of crosslinked waterborne polyurethaneurea

PLASTICS RUBBER AND COMPOSITES. 2009 FEB; 38 (1): 33-38

4747

4747 Kubala D, Drage EA, Al-Faydhi AME, Kocisek J, Papp P, et al.

Electron impact ionisation and UV absorption study of alpha- and beta- pinene

INTERNATIONAL JOURNAL OF MASS SPECTROMETRY. 2009 FEB 1; 280 (1-3): 169-173

4748

4748 Casolo S, Lovvik OM, Martinazzo R, Tantardini GF

Understanding adsorption of hydrogen atoms on graphene

JOURNAL OF CHEMICAL PHYSICS. 2009 FEB 7; 130 (5): Art. No. 054704

4749

4749 Verges JA, Chiappe G, Louis E, Pastor-Abia L, SanFabian E

Magnetic molecules created by hydrogenation of polycyclic aromatic hydrocarbons

PHYSICAL REVIEW B. 2009 MAR; 79 (9): Art. No. 094403

4750

4750 Wang ZD, Psiachos D, Badilla RF, Mazumdar S

Electron-electron interaction effects on the photophysics of metallic single-walled carbon nanotubes

JOURNAL OF PHYSICS-CONDENSED MATTER. 2009 MAR 4; 21 (9): Art. No. 095009

Date / Author / Journal

LCS

GCS

LCR

4751

4751 Psiachos D, Mazumdar S

PHYSICAL REVIEW B. 2009 APR; 79 (15): Art. No. 155106

4752

4752 Baba M, Saitoh M, Taguma K, Shinohara K, Yoshida K, et al.

Structure and excited-state dynamics of anthracene: Ultrahigh- resolution spectroscopy and theoretical calculation

JOURNAL OF CHEMICAL PHYSICS. 2009 APR 7; 130 (13): Art. No. 134315

4753

4753 Sterpone F, Bedard-Hearn MJ, Rossky PJ

Nonadiabatic Mixed Quantum-Classical Dynamic Simulation of pi-Stacked Oligophenylenevinylenes

JOURNAL OF PHYSICAL CHEMISTRY A. 2009 APR 16; 113 (15): 3427-3430

4754

4754 Sahu S, Shukla A

Fortran 90 implementation of the Hartree-Fock approach within the CNDO/2 and INDO models

COMPUTER PHYSICS COMMUNICATIONS. 2009 MAY; 180 (5): 724-734

4755

4755 Yoshida K, Semba Y, Kasahara S, Yamanaka T, Baba M

High-resolution spectroscopy of weak and short-lived bands of the S-1 B-1(3u)<- S-0 (1)A(g) transition of naphthalene

JOURNAL OF CHEMICAL PHYSICS. 2009 MAY 21; 130 (19): Art. No. 194304

4756

4756 Ameen S, Lakshmi GBVS, Husain M

Synthesis and characterization of polyaniline prepared with the dopant mixture of (ZrO2/PbI2)

JOURNAL OF PHYSICS D-APPLIED PHYSICS. 2009 MAY 21; 42 (10): Art. No. 105104

4757

4757 Saubanere M, Pastor GM

Scaling and transferability of the interaction-energy functional of the inhomogeneous Hubbard model

PHYSICAL REVIEW B. 2009 JUN; 79 (23): Art. No. 235101

4758

4758 Darau D, Begemann G, Donarini A, Grifoni M

Interference effects on the transport characteristics of a benzene single-electron transistor

PHYSICAL REVIEW B. 2009 JUN; 79 (23): Art. No. 235404

4759

4759 Marumoto K, Kato M, Kondo H, Kuroda S, Greenham NC, et al.

Electron spin resonance and electron nuclear double resonance of photogenerated polarons in polyfluorene and its fullerene composite

PHYSICAL REVIEW B. 2009 JUN; 79 (24): Art. No. 245204

4760

4760 Ahn SI, Eom S, Kim YK, Oh JM, Kim YT, et al.

The Study on Antifungal Therapy for the Onychomycosis: Part I

TISSUE ENGINEERING AND REGENERATIVE MEDICINE. 2009 JUN; 6 (4-11): 963-971

Date / Author / Journal

LCS

GCS

LCR

4761

4761 Gao K, Gao Kun Xie SJ, Xie Shi-Jie Li Y, Li Yuan Yin S, Yin Sun Liu DS, et al.

Effect of interchain coupling on a biexciton in organic polymers

CHINESE PHYSICS B. 2009 JUL; 18 (7): 2961-2966

4762

4762 Wasserman LA, Vasil'ev VG, Motyakin MV, Blaszchak W, Fornal J, et al.

Influence of Gluten and Gum Additives and Cryogenic Treatment on Some Properties and Morphology of Wheat Starch Complex Gels

STARCH-STARKE. 2009 JUL; 61 (7): 377-388

4763

4763 Sony P, Shukla A

Large-scale correlated study of excited state absorptions in naphthalene and anthracene

JOURNAL OF CHEMICAL PHYSICS. 2009 JUL 7; 131 (1): Art. No. 014302

4764

4764 Evans JS, Vydrov OA, Van Voorhis T

Exchange and correlation in molecular wire conductance: Nonlocality is the key

JOURNAL OF CHEMICAL PHYSICS. 2009 JUL 21; 131 (3): Art. No. 034106

103

4765

4765 Poveda JC, Guerrero A, Alvarez I, Cisneros C

Two, three and four photon absorption of naphthalene

REVISTA MEXICANA DE FISICA. 2009 AUG; 55 (4): 312-320

4766

4766 Mukhopadhyay S, Ramasesha S

Study of linear and nonlinear optical properties of dendrimers using density matrix renormalization group method

JOURNAL OF CHEMICAL PHYSICS. 2009 AUG 21; 131 (7): Art. No. 074111

4767

4767 Arif M, Mukhopadhyay S, Ramasesha S, Guha S

The role of triplet states in the emission mechanism of polymer light- emitting diodes

EPL. 2009 SEP; 87 (5): Art. No. 57008

4768

4768 Zhang J, Zhang Jie Hu CP

SYNTHESIS, CHARACTERIZATION AND MECHANICAL PROPERTIES OF POLYETHER- BASED ALIPHATIC POLYURETHANE ELASTOMERS COMPOSED OF HYPERBRANCHED POLYESTER SEGMENTS

ACTA POLYMERICA SINICA. 2009 SEP 20; (9): 867-873

4769

4769 Brown SJ

Efficacy of Fluconazole for the Treatment of Onychomycosis

ANNALS OF PHARMACOTHERAPY. 2009 OCT; 43 (10): 1684-1691

4770

4770 Lakshmi GBVS, Dhillon A, Siddiqui AM, Zulfequar M, Avasthi DK

RF-plasma polymerization and characterization of polyaniline

EUROPEAN POLYMER JOURNAL. 2009 OCT; 45 (10): 2873-2877

Date / Author / Journal

LCS

GCS

LCR

4771

4771 Niedzwiedzki DM, Chatterjee N, Enriquez MM, Kajikawa T, Hasegawa S, et al.

Spectroscopic Investigation of Peridinin Analogues Having Different pi- Electron Conjugated Chain Lengths: Exploring the Nature of the Intramolecular Charge Transfer State

JOURNAL OF PHYSICAL CHEMISTRY B. 2009 OCT 15; 113 (41): 13604-13612

4772

4772 Falden HH, Falster-Hansen KR, Bak KL, Rettrup S, Sauer SPA

Benchmarking Second Order Methods for the Calculation of Vertical Electronic Excitation Energies: Valence and Rydberg States in Polycyclic Aromatic Hydrocarbons

JOURNAL OF PHYSICAL CHEMISTRY A. 2009 OCT 29; 113 (43): 11995-12012

161

4773

4773 Yu M, Wu SY, Jayanthi CS

A self-consistent and environment-dependent Hamiltonian for large-scale simulations of complex nanostructures

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES. 2009 NOV; 42 (1): 1-16

146

4774

4774 Linares M, Hultell M, Stafstrom S

The effect of lattice dynamics on electron localization in poly-(para- phenylenevinylene)

SYNTHETIC METALS. 2009 NOV; 159 (21-22): 2219-2221

4775

4775 Rivero P, Loschen C, Moreira IDR, Illas F

Performance of Plane-Wave-Based LDA plus U and GGA plus U Approaches to Describe Magnetic Coupling in Molecular Systems

JOURNAL OF COMPUTATIONAL CHEMISTRY. 2009 NOV 15; 30 (14): 2316-2326

4776

4776 Niehaus TA

Approximate time-dependent density functional theory

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 2009 NOV 30; 914 (1-3): 38-49

114

4777

4777 Rincon J, Hallberg K, Aligia AA, Ramasesha S

Quantum Interference in Coherent Molecular Conductance

PHYSICAL REVIEW LETTERS. 2009 DEC 31; 103 (26): Art. No. 266807

2010

4778

4778 Michalek J, Pradny M, Dusek K, Duskova M, Hobzova R, et al.

HYDROGELS IN BIOLOGY AND MEDICINE

ADVANCES IN MEDICINE AND BIOLOGY, VOL 2. 2010; 2: 1-55

163

4779

4779 Michalek J, Pradny M, Dusek K, Duskova M, Hobzova R, et al.

HYDROGELS IN BIOLOGY AND MEDICINE

BIOMATERIALS DEVELOPMENTS AND APPLICATIONS. 2010; : 177-230

161

4780

4780 Lee SU, Kim JC, Mizuseki H, Kawazoe Y

The Origin of the Halogen Effect on the Phthalocyanine Green Pigments

CHEMISTRY-AN ASIAN JOURNAL. 2010; 5 (6): 1341-1346

Date / Author / Journal

4781

Lidocaine/Tetracaine Medicated Plaster In Minor Dermatological and Needle Puncture Procedures

DRUGS. 2010; 70 (16): 2113-2120

4782

4782 Ohrn Y, Linderberg J

Propagators and their implications

MOLECULAR PHYSICS. 2010; 108 (21-23): 2899-2904

4783

4783 Scridonesi-Calin V

THE MO-SCF QUANTUM APPROACH OF THE 4-BUTYL-OXY-BENZAL-4 ETHYL-ANILINE (BBEA) MOLECULE. (I) QUANTUM ENERGETIC MOLECULAR CHARACTERISTICS

UNIVERSITY POLITEHNICA OF BUCHAREST SCIENTIFIC BULLETIN-SERIES A- APPLIED MATHEMATICS AND PHYSICS. 2010; 72 (2): 155-164

4784

4784 Kumar M, Ramasesha S

Low-lying states of transverse substituted trans-polyacetylene and trans-polyacetylene: A comparative DMRG study

PHYSICAL REVIEW B. 2010 JAN; 81 (3): Art. No. 035115

4785

4785 Barcza G, Legeza O, Gebhard F, Noack RM

Density matrix renormalization group study of excitons in polydiacetylene chains

PHYSICAL REVIEW B. 2010 JAN; 81 (4): Art. No. 045103

4786

4786 Mukhopadhyay S, Ramasesha S, Guha S

Role of the triplet state in the green emission peak of polyfluorene films: A time evolution study

JOURNAL OF CHEMICAL PHYSICS. 2010 JAN 28; 132 (4): Art. No. 044104

4787

4787 Schwerin AF, Johnson JC, Smith MB, Sreearunothai P, Popovic D, et al.

Toward Designed Singlet Fission: Electronic States and Photophysics of 1,3-Diphenylisobenzofuran

JOURNAL OF PHYSICAL CHEMISTRY A. 2010 JAN 28; 114 (3): 1457-1473

4788

4788 Wiles MD, Dobson SA, Moppett IK

The effect of a new topical local anaesthetic delivery system on forearm skin blood flow reactivity

ANAESTHESIA. 2010 FEB; 65 (2): 178-183

4789

4789 Kaasbjerg K, Thygesen KS

Benchmarking GW against exact diagonalization for semiempirical models

PHYSICAL REVIEW B. 2010 FEB; 81 (8): Art. No. 085102

4790

4790 Verges JA, SanFabian E, Chiappe G, Louis E

Fit of Pariser-Parr-Pople and Hubbard model Hamiltonians to charge and spin states of polycyclic aromatic hydrocarbons

PHYSICAL REVIEW B. 2010 FEB; 81 (8): Art. No. 085120

Date / Author / Journal

LCS

GCS

LCR

4791

4791 Makhiyanov N, Khachaturov AS

The Structure of Chain Segments and H-1 NMR Spectra of Polychloroprene

POLYMER SCIENCE SERIES A. 2010 FEB; 52 (2): 209-219

4792

4792 Kukushkin AK, Jalkanen KJ

Role of quantum chemical calculations in molecular biophysics with a historical perspective

THEORETICAL CHEMISTRY ACCOUNTS. 2010 MAR; 125 (3-6): 121-144

245

4793

4793 Luzanov AV, Zhikol OA

Electron Invariants and Excited State Structural Analysis for Electronic Transitions Within CIS, RPA, and TDDFT Models

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2010 MAR 15; 110 (4): 902-924

150

4794

4794 Das M, Ramasesha S

Fluorescent resonant excitation energy transfer in linear polyenes

JOURNAL OF CHEMICAL PHYSICS. 2010 MAR 28; 132 (12): Art. No. 124109

4795

4795 Sony P, Shukla A

A general purpose Fortran 90 electronic structure program for conjugated systems using Pariser-Parr-Pople model

COMPUTER PHYSICS COMMUNICATIONS. 2010 APR; 181 (4): 821-830

4796

4796 Klochko OP, Fedyunyayeva IA, Khabuseva SU, Semenova OM, Terpetschnig EA, et al.

Benzodipyrrolenine-based biscyanine dyes: Synthesis, molecular structure and spectroscopic characterization

DYES AND PIGMENTS. 2010 APR; 85 (1-2): 7-15

4797

4797 Lu Y, Liu H, Gu B

Exciton distribution on single-walled carbon nanotube

EUROPEAN PHYSICAL JOURNAL B. 2010 APR; 74 (4): 499-506

4798

4798 Koyama Y, Kakitani Y, Miki T, Christiana R, Nagae H

Excited-State Dynamics of Overlapped Optically-Allowed 1B(u)(+) and Optically-Forbidden 1B(u)(-) or 3A(g)(-) Vibronic Levels of Carotenoids: Possible Roles in the Light-Harvesting Function

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES. 2010 APR; 11 (4): 1888-1929

4799

4799 Korichi H, Zouchoune F, Zendaoui SM, Zouchoune B, Saillard JY

The Coordination Chemistry of Azulene: A Comprehensive DFT Investigation

ORGANOMETALLICS. 2010 APR 12; 29 (7): 1693-1706

4800

4800 Salzner U

Effects of Perfluorination on Thiophene and Pyrrole Oligomers

JOURNAL OF PHYSICAL CHEMISTRY A. 2010 APR 29; 114 (16): 5397-5405

papers citing Rudy Pariser Publications by Rudy Pariser and the papers citing R Pariser	Historiographs	Glossary HistCite Guide About Grand Totals: LCS 29242, GCS 189873, CR 195260 Collection span: 1948 - 2011
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