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Complexation Behavior of the Tri-n-butyl Phosphate Ligand with Pu(IV) and Zr(IV): A Computational Study.

The journal of physical chemistry. A

Gopakumar G, Sreenivasulu B, Suresh A, Brahmmananda Rao CV, Sivaraman N, Joseph M, Anoop A.
PMID: 27248966
J Phys Chem A. 2016 Jun 23;120(24):4201-10. doi: 10.1021/acs.jpca.6b02668. Epub 2016 Jun 10.

Tri-n-butyl phosphate (TBP), used as the extractant in nuclear fuel reprocessing, shows superior extraction abilities for Pu(IV) over a large number of fission products including Zr(IV). We have applied density functional theory (DFT) calculations to explain this selectivity by...

Coordination-Controlled One-Dimensional Molecular Chains in Hexapodal Adenine-Silver Ultrathin Films.

Inorganic chemistry

Saravanan RK, Saha P, Venkatesh V, Gopakumar TG, Verma S.
PMID: 28290669
Inorg Chem. 2017 Apr 03;56(7):3976-3982. doi: 10.1021/acs.inorgchem.6b03090. Epub 2017 Mar 14.

Growth of a silver coordination polymer of a C

GW170817: Observation of Gravitational Waves from a Binary Neutron Star Inspiral.

Physical review letters

Abbott BP, Abbott R, Abbott TD, Acernese F, Ackley K, Adams C, Adams T, Addesso P, Adhikari RX, Adya VB, Affeldt C, Afrough M, Agarwal B, Agathos M, Agatsuma K, Aggarwal N, Aguiar OD, Aiello L, Ain A, Ajith P, Allen B, Allen G, Allocca A, Altin PA, Amato A, Ananyeva A, Anderson SB, Anderson WG, Angelova SV, Antier S, Appert S, Arai K, Araya MC, Areeda JS, Arnaud N, Arun KG, Ascenzi S, Ashton G, Ast M, Aston SM, Astone P, Atallah DV, Aufmuth P, Aulbert C, AultONeal K, Austin C, Avila-Alvarez A, Babak S, Bacon P, Bader MKM, Bae S, Bailes M, Baker PT, Baldaccini F, Ballardin G, Ballmer SW, Banagiri S, Barayoga JC, Barclay SE, Barish BC, Barker D, Barkett K, Barone F, Barr B, Barsotti L, Barsuglia M, Barta D, Barthelmy SD, Bartlett J, Bartos I, Bassiri R, Basti A, Batch JC, Bawaj M, Bayley JC, Bazzan M, Bécsy B, Beer C, Bejger M, Belahcene I, Bell AS, Berger BK, Bergmann G, Bernuzzi S, Bero JJ, Berry CPL, Bersanetti D, Bertolini A, Betzwieser J, Bhagwat S, Bhandare R, Bilenko IA, Billingsley G, Billman CR, Birch J, Birney R, Birnholtz O, Biscans S, Biscoveanu S, Bisht A, Bitossi M, Biwer C, Bizouard MA, Blackburn JK, Blackman J, Blair CD, Blair DG, Blair RM, Bloemen S, Bock O, Bode N, Boer M, Bogaert G, Bohe A, Bondu F, Bonilla E, Bonnand R, Boom BA, Bork R, Boschi V, Bose S, Bossie K, Bouffanais Y, Bozzi A, Bradaschia C, Brady PR, Branchesi M, Brau JE, Briant T, Brillet A, Brinkmann M, Brisson V, Brockill P, Broida JE, Brooks AF, Brown DA, Brown DD, Brunett S, Buchanan CC, Buikema A, Bulik T, Bulten HJ, Buonanno A, Buskulic D, Buy C, Byer RL, Cabero M, Cadonati L, Cagnoli G, Cahillane C, Calderón Bustillo J, Callister TA, Calloni E, Camp JB, Canepa M, Canizares P, Cannon KC, Cao H, Cao J, Capano CD, Capocasa E, Carbognani F, Caride S, Carney MF, Carullo G, Casanueva Diaz J, Casentini C, Caudill S, Cavaglià M, Cavalier F, Cavalieri R, Cella G, Cepeda CB, Cerdá-Durán P, Cerretani G, Cesarini E, Chamberlin SJ, Chan M, Chao S, Charlton P, Chase E, Chassande-Mottin E, Chatterjee D, Chatziioannou K, Cheeseboro BD, Chen HY, Chen X, Chen Y, Cheng HP, Chia H, Chincarini A, Chiummo A, Chmiel T, Cho HS, Cho M, Chow JH, Christensen N, Chu Q, Chua AJK, Chua S, Chung AKW, Chung S, Ciani G, Ciolfi R, Cirelli CE, Cirone A, Clara F, Clark JA, Clearwater P, Cleva F, Cocchieri C, Coccia E, Cohadon PF, Cohen D, Colla A, Collette CG, Cominsky LR, Constancio M, Conti L, Cooper SJ, Corban P, Corbitt TR, Cordero-Carrión I, Corley KR, Cornish N, Corsi A, Cortese S, Costa CA, Coughlin MW, Coughlin SB, Coulon JP, Countryman ST, Couvares P, Covas PB, Cowan EE, Coward DM, Cowart MJ, Coyne DC, Coyne R, Creighton JDE, Creighton TD, Cripe J, Crowder SG, Cullen TJ, Cumming A, Cunningham L, Cuoco E, Dal Canton T, Dálya G, Danilishin SL, D'Antonio S, Danzmann K, Dasgupta A, Da Silva Costa CF, Dattilo V, Dave I, Davier M, Davis D, Daw EJ, Day B, De S, DeBra D, Degallaix J, De Laurentis M, Deléglise S, Del Pozzo W, Demos N, Denker T, Dent T, De Pietri R, Dergachev V, De Rosa R, DeRosa RT, De Rossi C, DeSalvo R, de Varona O, Devenson J, Dhurandhar S, Díaz MC, Dietrich T, Di Fiore L, Di Giovanni M, Di Girolamo T, Di Lieto A, Di Pace S, Di Palma I, Di Renzo F, Doctor Z, Dolique V, Donovan F, Dooley KL, Doravari S, Dorrington I, Douglas R, Dovale Álvarez M, Downes TP, Drago M, Dreissigacker C, Driggers JC, Du Z, Ducrot M, Dudi R, Dupej P, Dwyer SE, Edo TB, Edwards MC, Effler A, Eggenstein HB, Ehrens P, Eichholz J, Eikenberry SS, Eisenstein RA, Essick RC, Estevez D, Etienne ZB, Etzel T, Evans M, Evans TM, Factourovich M, Fafone V, Fair H, Fairhurst S, Fan X, Farinon S, Farr B, Farr WM, Fauchon-Jones EJ, Favata M, Fays M, Fee C, Fehrmann H, Feicht J, Fejer MM, Fernandez-Galiana A, Ferrante I, Ferreira EC, Ferrini F, Fidecaro F, Finstad D, Fiori I, Fiorucci D, Fishbach M, Fisher RP, Fitz-Axen M, Flaminio R, Fletcher M, Fong H, Font JA, Forsyth PWF, Forsyth SS, Fournier JD, Frasca S, Frasconi F, Frei Z, Freise A, Frey R, Frey V, Fries EM, Fritschel P, Frolov VV, Fulda P, Fyffe M, Gabbard H, Gadre BU, Gaebel SM, Gair JR, Gammaitoni L, Ganija MR, Gaonkar SG, Garcia-Quiros C, Garufi F, Gateley B, Gaudio S, Gaur G, Gayathri V, Gehrels N, Gemme G, Genin E, Gennai A, George D, George J, Gergely L, Germain V, Ghonge S, Ghosh A, Ghosh A, Ghosh S, Giaime JA, Giardina KD, Giazotto A, Gill K, Glover L, Goetz E, Goetz R, Gomes S, Goncharov B, González G, Gonzalez Castro JM, Gopakumar A, Gorodetsky ML, Gossan SE, Gosselin M, Gouaty R, Grado A, Graef C, Granata M, Grant A, Gras S, Gray C, Greco G, Green AC, Gretarsson EM, Groot P, Grote H, Grunewald S, Gruning P, Guidi GM, Guo X, Gupta A, Gupta MK, Gushwa KE, Gustafson EK, Gustafson R, Halim O, Hall BR, Hall ED, Hamilton EZ, Hammond G, Haney M, Hanke MM, Hanks J, Hanna C, Hannam MD, Hannuksela OA, Hanson J, Hardwick T, Harms J, Harry GM, Harry IW, Hart MJ, Haster CJ, Haughian K, Healy J, Heidmann A, Heintze MC, Heitmann H, Hello P, Hemming G, Hendry M, Heng IS, Hennig J, Heptonstall AW, Heurs M, Hild S, Hinderer T, Ho WCG, Hoak D, Hofman D, Holt K, Holz DE, Hopkins P, Horst C, Hough J, Houston EA, Howell EJ, Hreibi A, Hu YM, Huerta EA, Huet D, Hughey B, Husa S, Huttner SH, Huynh-Dinh T, Indik N, Inta R, Intini G, Isa HN, Isac JM, Isi M, Iyer BR, Izumi K, Jacqmin T, Jani K, Jaranowski P, Jawahar S, Jiménez-Forteza F, Johnson WW, Johnson-McDaniel NK, Jones DI, Jones R, Jonker RJG, Ju L, Junker J, Kalaghatgi CV, Kalogera V, Kamai B, Kandhasamy S, Kang G, Kanner JB, Kapadia SJ, Karki S, Karvinen KS, Kasprzack M, Kastaun W, Katolik M, Katsavounidis E, Katzman W, Kaufer S, Kawabe K, Kéfélian F, Keitel D, Kemball AJ, Kennedy R, Kent C, Key JS, Khalili FY, Khan I, Khan S, Khan Z, Khazanov EA, Kijbunchoo N, Kim C, Kim JC, Kim K, Kim W, Kim WS, Kim YM, Kimbrell SJ, King EJ, King PJ, Kinley-Hanlon M, Kirchhoff R, Kissel JS, Kleybolte L, Klimenko S, Knowles TD, Koch P, Koehlenbeck SM, Koley S, Kondrashov V, Kontos A, Korobko M, Korth WZ, Kowalska I, Kozak DB, Krämer C, Kringel V, Krishnan B, Królak A, Kuehn G, Kumar P, Kumar R, Kumar S, Kuo L, Kutynia A, Kwang S, Lackey BD, Lai KH, Landry M, Lang RN, Lange J, Lantz B, Lanza RK, Larson SL, Lartaux-Vollard A, Lasky PD, Laxen M, Lazzarini A, Lazzaro C, Leaci P, Leavey S, Lee CH, Lee HK, Lee HM, Lee HW, Lee K, Lehmann J, Lenon A, Leon E, Leonardi M, Leroy N, Letendre N, Levin Y, Li TGF, Linker SD, Littenberg TB, Liu J, Liu X, Lo RKL, Lockerbie NA, London LT, Lord JE, Lorenzini M, Loriette V, Lormand M, Losurdo G, Lough JD, Lousto CO, Lovelace G, Lück H, Lumaca D, Lundgren AP, Lynch R, Ma Y, Macas R, Macfoy S, Machenschalk B, MacInnis M, Macleod DM, Magaña Hernandez I, Magaña-Sandoval F, Magaña Zertuche L, Magee RM, Majorana E, Maksimovic I, Man N, Mandic V, Mangano V, Mansell GL, Manske M, Mantovani M, Marchesoni F, Marion F, Márka S, Márka Z, Markakis C, Markosyan AS, Markowitz A, Maros E, Marquina A, Marsh P, Martelli F, Martellini L, Martin IW, Martin RM, Martynov DV, Marx JN, Mason K, Massera E, Masserot A, Massinger TJ, Masso-Reid M, Mastrogiovanni S, Matas A, Matichard F, Matone L, Mavalvala N, Mazumder N, McCarthy R, McClelland DE, McCormick S, McCuller L, McGuire SC, McIntyre G, McIver J, McManus DJ, McNeill L, McRae T, McWilliams ST, Meacher D, Meadors GD, Mehmet M, Meidam J, Mejuto-Villa E, Melatos A, Mendell G, Mercer RA, Merilh EL, Merzougui M, Meshkov S, Messenger C, Messick C, Metzdorff R, Meyers PM, Miao H, Michel C, Middleton H, Mikhailov EE, Milano L, Miller AL, Miller BB, Miller J, Millhouse M, Milovich-Goff MC, Minazzoli O, Minenkov Y, Ming J, Mishra C, Mitra S, Mitrofanov VP, Mitselmakher G, Mittleman R, Moffa D, Moggi A, Mogushi K, Mohan M, Mohapatra SRP, Molina I, Montani M, Moore CJ, Moraru D, Moreno G, Morisaki S, Morriss SR, Mours B, Mow-Lowry CM, Mueller G, Muir AW, Mukherjee A, Mukherjee D, Mukherjee S, Mukund N, Mullavey A, Munch J, Muñiz EA, Muratore M, Murray PG, Nagar A, Napier K, Nardecchia I, Naticchioni L, Nayak RK, Neilson J, Nelemans G, Nelson TJN, Nery M, Neunzert A, Nevin L, Newport JM, Newton G, Ng KKY, Nguyen P, Nguyen TT, Nichols D, Nielsen AB, Nissanke S, Nitz A, Noack A, Nocera F, Nolting D, North C, Nuttall LK, Oberling J, O'Dea GD, Ogin GH, Oh JJ, Oh SH, Ohme F, Okada MA, Oliver M, Oppermann P, Oram RJ, O'Reilly B, Ormiston R, Ortega LF, O'Shaughnessy R, Ossokine S, Ottaway DJ, Overmier H, Owen BJ, Pace AE, Page J, Page MA, Pai A, Pai SA, Palamos JR, Palashov O, Palomba C, Pal-Singh A, Pan H, Pan HW, Pang B, Pang PTH, Pankow C, Pannarale F, Pant BC, Paoletti F, Paoli A, Papa MA, Parida A, Parker W, Pascucci D, Pasqualetti A, Passaquieti R, Passuello D, Patil M, Patricelli B, Pearlstone BL, Pedraza M, Pedurand R, Pekowsky L, Pele A, Penn S, Perez CJ, Perreca A, Perri LM, Pfeiffer HP, Phelps M, Piccinni OJ, Pichot M, Piergiovanni F, Pierro V, Pillant G, Pinard L, Pinto IM, Pirello M, Pitkin M, Poe M, Poggiani R, Popolizio P, Porter EK, Post A, Powell J, Prasad J, Pratt JWW, Pratten G, Predoi V, Prestegard T, Prijatelj M, Principe M, Privitera S, Prix R, Prodi GA, Prokhorov LG, Puncken O, Punturo M, Puppo P, Pürrer M, Qi H, Quetschke V, Quintero EA, Quitzow-James R, Raab FJ, Rabeling DS, Radkins H, Raffai P, Raja S, Rajan C, Rajbhandari B, Rakhmanov M, Ramirez KE, Ramos-Buades A, Rapagnani P, Raymond V, Razzano M, Read J, Regimbau T, Rei L, Reid S, Reitze DH, Ren W, Reyes SD, Ricci F, Ricker PM, Rieger S, Riles K, Rizzo M, Robertson NA, Robie R, Robinet F, Rocchi A, Rolland L, Rollins JG, Roma VJ, Romano JD, Romano R, Romel CL, Romie JH, Rosińska D, Ross MP, Rowan S, Rüdiger A, Ruggi P, Rutins G, Ryan K, Sachdev S, Sadecki T, Sadeghian L, Sakellariadou M, Salconi L, Saleem M, Salemi F, Samajdar A, Sammut L, Sampson LM, Sanchez EJ, Sanchez LE, Sanchis-Gual N, Sandberg V, Sanders JR, Sassolas B, Sathyaprakash BS, Saulson PR, Sauter O, Savage RL, Sawadsky A, Schale P, Scheel M, Scheuer J, Schmidt J, Schmidt P, Schnabel R, Schofield RMS, Schönbeck A, Schreiber E, Schuette D, Schulte BW, Schutz BF, Schwalbe SG, Scott J, Scott SM, Seidel E, Sellers D, Sengupta AS, Sentenac D, Sequino V, Sergeev A, Shaddock DA, Shaffer TJ, Shah AA, Shahriar MS, Shaner MB, Shao L, Shapiro B, Shawhan P, Sheperd A, Shoemaker DH, Shoemaker DM, Siellez K, Siemens X, Sieniawska M, Sigg D, Silva AD, Singer LP, Singh A, Singhal A, Sintes AM, Slagmolen BJJ, Smith B, Smith JR, Smith RJE, Somala S, Son EJ, Sonnenberg JA, Sorazu B, Sorrentino F, Souradeep T, Spencer AP, Srivastava AK, Staats K, Staley A, Steinke M, Steinlechner J, Steinlechner S, Steinmeyer D, Stevenson SP, Stone R, Stops DJ, Strain KA, Stratta G, Strigin SE, Strunk A, Sturani R, Stuver AL, Summerscales TZ, Sun L, Sunil S, Suresh J, Sutton PJ, Swinkels BL, Szczepańczyk MJ, Tacca M, Tait SC, Talbot C, Talukder D, Tanner DB, Tápai M, Taracchini A, Tasson JD, Taylor JA, Taylor R, Tewari SV, Theeg T, Thies F, Thomas EG, Thomas M, Thomas P, Thorne KA, Thorne KS, Thrane E, Tiwari S, Tiwari V, Tokmakov KV, Toland K, Tonelli M, Tornasi Z, Torres-Forné A, Torrie CI, Töyrä D, Travasso F, Traylor G, Trinastic J, Tringali MC, Trozzo L, Tsang KW, Tse M, Tso R, Tsukada L, Tsuna D, Tuyenbayev D, Ueno K, Ugolini D, Unnikrishnan CS, Urban AL, Usman SA, Vahlbruch H, Vajente G, Valdes G, Vallisneri M, van Bakel N, van Beuzekom M, van den Brand JFJ, Van Den Broeck C, Vander-Hyde DC, van der Schaaf L, van Heijningen JV, van Veggel AA, Vardaro M, Varma V, Vass S, Vasúth M, Vecchio A, Vedovato G, Veitch J, Veitch PJ, Venkateswara K, Venugopalan G, Verkindt D, Vetrano F, Viceré A, Viets AD, Vinciguerra S, Vine DJ, Vinet JY, Vitale S, Vo T, Vocca H, Vorvick C, Vyatchanin SP, Wade AR, Wade LE, Wade M, Walet R, Walker M, Wallace L, Walsh S, Wang G, Wang H, Wang JZ, Wang WH, Wang YF, Ward RL, Warner J, Was M, Watchi J, Weaver B, Wei LW, Weinert M, Weinstein AJ, Weiss R, Wen L, Wessel EK, Weßels P, Westerweck J, Westphal T, Wette K, Whelan JT, Whitcomb SE, Whiting BF, Whittle C, Wilken D, Williams D, Williams RD, Williamson AR, Willis JL, Willke B, Wimmer MH, Winkler W, Wipf CC, Wittel H, Woan G, Woehler J, Wofford J, Wong KWK, Worden J, Wright JL, Wu DS, Wysocki DM, Xiao S, Yamamoto H, Yancey CC, Yang L, Yap MJ, Yazback M, Yu H, Yu H, Yvert M, Zadrożny A, Zanolin M, Zelenova T, Zendri JP, Zevin M, Zhang L, Zhang M, Zhang T, Zhang YH, Zhao C, Zhou M, Zhou Z, Zhu SJ, Zhu XJ, Zimmerman AB, Zucker ME, Zweizig J.
PMID: 29099225
Phys Rev Lett. 2017 Oct 20;119(16):161101. doi: 10.1103/PhysRevLett.119.161101. Epub 2017 Oct 16.

On August 17, 2017 at 12∶41:04 UTC the Advanced LIGO and Advanced Virgo gravitational-wave detectors made their first observation of a binary neutron star inspiral. The signal, GW170817, was detected with a combined signal-to-noise ratio of 32.4 and a...

Comparison of rocuronium at two different doses and succinylcholine for endotracheal intubation in adult patients for elective surgeries.

Saudi journal of anaesthesia

Chavan SG, Gangadharan S, Gopakumar AK.
PMID: 27833478
Saudi J Anaesth. 2016 Oct-Dec;10(4):379-383. doi: 10.4103/1658-354X.177330.

BACKGROUND: The effects of rocuronium at two different doses, that is, 0.6 mg/kg (2 × ED95) and 0.9 mg/kg (3 × ED95), were compared with succinylcholine (2 mg/kg) when used for endotracheal intubation in adult patients for elective surgeries...

Dipole polarizability of alkali-metal (Na, K, Rb)-alkaline-earth-metal (Ca, Sr) polar molecules: prospects for alignment.

The Journal of chemical physics

Gopakumar G, Abe M, Hada M, Kajita M.
PMID: 24929384
J Chem Phys. 2014 Jun 14;140(22):224303. doi: 10.1063/1.4881396.

Electronic open-shell ground-state properties of selected alkali-metal-alkaline-earth-metal polar molecules are investigated. We determine potential energy curves of the (2)Σ(+) ground state at the coupled-cluster singles and doubles with partial triples (CCSD(T)) level of electron correlation. Calculated spectroscopic constants for...

A large oral lipoma in a young patient: A rare combination.

Contemporary clinical dentistry

Daryani D, Gopakumar R.
PMID: 24963254
Contemp Clin Dent. 2014 Apr;5(2):236-9. doi: 10.4103/0976-237X.132363.

Lipoma is a benign neoplasm of mature fat cells. Although a common mesenchymal neoplasm of trunk and extremities, its occurrence in the oral and oropharyngeal region is rather rare. Lipoma accounts for 1-5% of all benign oral tumors, occurring...

Forecasting Daily Patient Outflow From a Ward Having No Real-Time Clinical Data.

JMIR medical informatics

Gopakumar S, Tran T, Luo W, Phung D, Venkatesh S.
PMID: 27444059
JMIR Med Inform. 2016 Jul 21;4(3):e25. doi: 10.2196/medinform.5650.

OBJECTIVE: Our study investigates different models to forecast the total number of next-day discharges from an open ward having no real-time clinical data.METHODS: We compared 5 popular regression algorithms to model total next-day discharges: (1) autoregressive integrated moving average...

Cocaine Addiction: Neurobiology and Related Current Research in Pharmacotherapy.

Substance abuse

Panikkar GP.
PMID: 12511828
Subst Abus. 1999 Sep;20(3):149-166. doi: 10.1080/08897079909511403.

In this article, recent research studies in the field of cocaine addiction are reviewed, with an eye toward emergent options for treatment innovation. Particular attention is paid to the neurobiology and specific neurotransmitter and receptor mechanisms involved in cocaine...

Electronic structure of germanium monohydrides Ge(n)H, n = 1-3.

The journal of physical chemistry. A

Gopakumar G, Ngan VT, Lievens P, Nguyen MT.
PMID: 18986124
J Phys Chem A. 2008 Nov 27;112(47):12187-95. doi: 10.1021/jp805173n.

Quantum chemical calculations were applied to investigate the electronic structure of germanium hydrides, Ge(n)H (n = 1, 2, 3), their cations, and anions. Computations using a multiconfigurational quasi-degenerate perturbation approach (MCQDPT2) based on complete active space wave functions (CASSCF),...

Terahertz generation from graphite.

Optics express

Ramakrishnan G, Chakkittakandy R, Planken PC.
PMID: 19724609
Opt Express. 2009 Aug 31;17(18):16092-9. doi: 10.1364/OE.17.016092.

Generation of subpicosecond terahertz pulses is observed when graphite surfaces are illuminated with femtosecond near-infrared laser pulses. The nonlinear optical generation of THz pulses from graphite is unexpected since, in principle, the material possesses a centre of inversion symmetry....

Papillon lefevre syndrome.

Indian journal of dermatology, venereology and leprology

Dayal PK, Reddy SM, Gopakumar R, Babu SG.
PMID: 20952980
Indian J Dermatol Venereol Leprol. 1995 Jul-Aug;61(4):246.

No abstract available.

Experimental detection and theoretical characterization of germanium-doped lithium clusters Li(n)Ge (n = 1-7).

The journal of physical chemistry. A

Ngan VT, De Haeck J, Le HT, Gopakumar G, Lievens P, Nguyen MT.
PMID: 19621914
J Phys Chem A. 2009 Aug 13;113(32):9080-91. doi: 10.1021/jp9056913.

We report a combined experimental and quantum chemical study of the small neutral and cationic germanium-doped lithium clusters Li(n)Ge(0,+) (n = 1-7). The clusters were detected by time-of-flight mass spectrometry after laser vaporization and ionization. The molecular geometries and...

Showing 1 to 12 of 217 entries