Journal of Computational Chemistry

2.7(top 20%)

impact factor

8.5K(top 2%)

papers

703.7K(top 1%)

citations

257(top 1%)

h-index

2.7(top 20%)

extended IF

10.0K

all documents

745.4K

doc citations

749(top 0.1%)

g-index

Top Authors (by articles)

#	Author	Articles	Citations	R ARank	R CRank
1	Wonpil Im	3	1,846	1	1
1	Sonja Herres-Pawlis	3	148	1	1
1	Yaoqi Zhou	3	187	1	1
4	Martin Zacharias	2	46	1	3
4	Nicolás Ramos-Berdullas	2	21	1	1
4	Guixiang Zeng Zeng	2	19	1	4
4	Hiromi Nakai	2	9	1	3
4	Hans Peter Lüthi	2	48	1	1
4	Shun Sakuraba	2	74	1	1
4	Enrique Cabaleiro-Lago	2	32	1	3
4	Jean-Philip Piquemal	2	30	2	10
4	Wei Guan	2	19	1	4
4	Nohad Gresh	2	30	1	2
4	Osvaldo A Martin	2	13	1	3
4	Jorge Vila	2	13	1	3
4	Jeffery B Klauda	2	1,814	3	1
4	Stefano Evangelisti	2	31	1	2
4	Yuji Sugita	2	54	3	3
4	Israel Fernandez	2	140	4	3
4	Michael Devereux	2	26	1	2
4	W Gero Schmidt	2	93	3	1
4	Chin-Kun Hu	2	34	1	2
4	Dong-Xia Zhao	2	57	1	1
4	Jesús Rodríguez Otero	2	32	1	3
4	Lam K Huynh	2	36	1	2
4	Antonio Lagana	2	39	1	1
4	Sunhwan Jo	2	1,814	1	1
4	Chris Oostenbrink	2	70	2	3
4	Hermanus C M Vosloo	2	16	1	2
4	Shinichi Yamabe	2	19	1	1
4	Zhong-Zhi Yang	2	57	1	1
4	Yuedong Yang	2	153	1	1
4	Sateesh Bandaru	2	13	1	1
4	Johannes Hl Jordaan	2	16	1	1
4	Maria M Reif	2	70	1	1
4	Niall J English	2	13	1	8
4	Viviana Monje-Galvan	2	1,814	1	1
4	Alexander Hoffmann	2	86	1	1
4	Kenneth Ruud	2	56	2	4
4	Celestino Angeli	2	42	1	5
4	Paul Ayers	2	16	2	10
4	Yifei Qi	2	1,814	1	1
4	Markus A Lill	2	86	1	1
4	Thomas Bredow	2	2	1	9
4	Xavier Assfeld	2	4	2	9
4	Friedrich Matthias Bickelhaupt	2	140	2	5
47	Talapunur Vikramaditya	1	15	1	1
47	Michael F Crowley	1	107	2	3
47	Orkid Coskuner	1	24	1	2
47	Abdul Sattar	1	133	3	1
47	Anita K Nivedha	1	67	1	1
47	Christoph Grebner	1	5	1	1
47	Emil Alexov	1	17	3	7
47	Jeremy Schofield	1	14	1	2
47	Heinz Dieter Rudolph	1	23	1	1
47	Hartmut Lowen	1	30	5	6
47	Elisabeth Ortega-Carrasco	1	22	1	1
47	Simon D Elliott	1	64	2	3
47	Andrew D Phillips	1	7	1	2
47	Junji Seino	1	7	1	2
47	Nicodemo Di Pasquale	1	14	1	2
47	Hidetoshi Kono	1	16	2	1
47	Maurizio Sironi	1	73	1	1
47	Assoc Prof Bo Durbeej	1	18	1	3
47	Emilia Sicilia	1	31	1	2
47	Qiong Gu	1	10	3	9
47	Jingyu Sun	1	7	1	1
47	Krzysztof Jozwiak	1	10	3	9
47	Masaichi Saito	1	8	1	7
47	Jing-Ping Zhang	1	14	5	12
47	Qiang Cui	1	42	2	6
47	Anela Ivanova	1	6	1	1
47	Mark von Itzstein	1	20	2	3
47	Jiří Kessler	1	2	1	2
47	Xiangyu Jia	1	7	1	1
47	Nico Tjandra	1	2	2	3
47	Lin Li	1	17	1	2
47	Mirosław Jabłoński	1	16	1	2
47	Daniel Roca-Sanjuán	1	4	2	4
47	Vladimir G Malkin	1	8	1	1
47	Kazuaki Z Takahashi	1	10	1	1
47	Piotr Kowalski	1	53	2	3
47	Berta Fernández	1	1	1	4
47	Lin Shen	1	4	1	2
47	Susan Ls Stipp	1	23	6	16
47	Mirosław Karbowiak	1	6	1	3
47	Svetlana G Kozlova	1	10	2	5
47	Neil Qiang Su	1	1	1	3
47	Kim Baldridge	1	22	1	5
47	Nobuyuki Matubayasi	1	58	4	2
47	Natalja Vogt	1	23	1	1
47	Elshad A Allahyarov	1	30	1	1
47	Cherumuttathu H Suresh	1	28	2	3
47	Gonzalo A Jaña	1	8	1	1
47	Minori Abe	1	8	3	4
47	Robert A Evarestov	1	24	1	2
47	David Perahia	1	9	1	3
47	Cheng Shang	1	42	1	4
47	Gian Gaetano Tartaglia	1	31	2	3
47	Georgios Boulougouris	1	4	2	3
47	Vishwesh Venkatraman	1	23	2	2
47	Edison H Osorio	1	55	2	3
47	Buu Pham	1	16	1	1
47	Emilio San Fabian	1	3	1	3
47	Wei Huang	1	35	2	2
47	Otávio Beruski	1	6	1	1
47	Sergei Y Noskov	1	15	1	8
47	Sebastian Ehlert	1	48	2	8
47	Alexander Mirzoev	1	18	1	1
47	Bin Liu	1	20	1	2
47	Seyit Kale	1	16	1	1
47	Agusti Lledos	1	22	5	9
47	Markus Meuwly	1	21	5	5
47	Virapong Prachayasittikul	1	4	4	12
47	Ryuhei Harada	1	23	1	2
47	dimas Suarez	1	3	1	3
47	Xiao-Ying Zhang	1	14	6	12
47	Shuai Jiang	1	35	1	2
47	Claudio Amovilli	1	5	1	3
47	Weihong Zhang	1	14	1	2
47	Nicola Gaston	1	24	2	2
47	Coen de Graaf	1	20	3	6
47	Gerrit Groenhof	1	37	3	6
47	Fernando Colmenares	1	9	1	1
47	Ricardo A Mosquera	1	9	2	4
47	Mauro Francesco Sgroi	1	24	1	2
47	Alexander D Mackerell	1	136	6	5
47	Zhi Sun	1	6	1	1
47	Chérif F Matta	1	136	1	1
47	Gurpreet Kaur	1	17	3	10
47	Aleksandra Karolak	1	17	1	1
47	Petr Bouř	1	2	1	6
47	Bernd Hartke	1	9	2	2
47	Feifei Wang	1	8	3	6
47	Sergio Rampino	1	22	2	2
47	Abdollah Dehzangi	1	133	1	1
47	Pascal Pernot	1	24	1	3
47	Massimiliano Bartolomei	1	17	1	3
47	Wanqiao Zhang	1	7	1	1
47	Judith Herzfeld	1	16	1	1
47	Ernesto Garcia	1	17	1	1
47	Catherine Berthomieu	1	9	1	3
47	Amnon Kohen	1	20	2	6
47	Satoshi Maeda	1	151	3	1
47	Nicholas Leioatts	1	83	1	1
47	Abhinandan Jain	1	9	1	2
47	Yuqing Xu	1	14	2	2
47	Ramón López	1	3	1	2
47	Paul l A Popelier	1	30	4	5
47	Huiying Zhao	1	20	1	5
47	Ke-Li Han	1	38	4	4
47	Angelika Baranowska-Łączkowska	1	1	1	3
47	Eric Hénon	1	597	1	1
47	Aurora Clark	1	83	3	1
47	Wei?ping P Hu	1	4	1	2
47	Fei Xia	1	17	1	2
47	Antonio Monari	1	22	4	8
47	Wolfgang Wenzel	1	7	3	10
47	Andreas Pfaltz	1	5	3	3
47	Vitaly Glushkov	1	1	1	1
47	Adèle D Laurent	1	3	4	9
47	Marcos Mandado Alonso	1	21	1	2
47	Kin-Yiu Wong	1	14	1	3
47	Mark T Oakley	1	22	1	1
47	Marco Heinen	1	30	1	1
47	Xinying Li	1	19	1	1
47	Jaroslav V Burda	1	20	2	4
47	Marta E Alberto	1	31	1	2
47	Paola Carbone	1	14	2	5
47	Huangteng	1	35	3	3
47	Stephen Whitelam	1	67	1	1
47	Maris Lapins	1	4	1	1
47	Christopher N Rowley	1	51	1	3
47	Guest-Prof Dr Jean Demaison	1	23	1	2
47	Jorge Carrazana	1	15	1	1
47	Takao Tsuneda	1	18	1	4
47	Tsvetan K Zahariev	1	6	1	1
47	Xavier Andrade	1	23	1	1
47	Athanassios C Tsipis	1	2	1	3
47	Masaki Okoshi	1	2	1	2
47	Ana Martinez	1	55	3	1
47	Daniel Roston	1	20	1	3
47	Orkide Coşkuner-Weber	1	24	1	2
47	Wen-Liang Li	1	14	1	2
47	Magnus Lundborg	1	14	1	1
47	Patrice Koehl	1	17	3	2
47	Aggelos Avramopoulos	1	12	1	3
47	K Sumithra	1	15	1	1
47	Muammar El Khatib	1	9	1	3
47	Jumin Lee	1	1,802	1	1
47	Vincent A Voelz	1	22	1	3
47	Arne Lüchow	1	19	1	2
47	Jun Xu	1	10	3	13
47	Eric Van Dornshuld	1	2	1	4
47	Julio M Hernández-Pérez	1	49	1	1
47	Richard Grunzke	1	55	1	2
47	Charleen G Don	1	18	1	1
47	Stefanie Dehnen	1	9	3	6
47	Tetsuya Taketsugu	1	151	2	3
47	Alessandro Vitriolo	1	8	1	1
47	Alfredo Guevara-García	1	49	1	1
47	Annia Galano	1	211	3	2
47	Pulak Naskar	1	35	2	1
47	Chang-Sheng Wang	1	21	1	1
47	Alejandro Gaita-Arińo	1	28	2	3
47	Palii Andrew	1	28	1	1
47	Narciso M Garrido	1	3	1	2
47	Panaghiotis E Karamanis	1	12	1	2
47	Elena Voloshina	1	12	1	6
47	Chi Zhang	1	34	1	7
47	Neil J Henson	1	2	2	8
47	Eugenio Coronado	1	28	4	11
47	Sergei Grudinin	1	20	2	5
47	Rafael Grande-Aztatzi	1	55	1	1
47	Richard Dronskowski	1	8	5	15
47	Norio Yoshida	1	38	3	2
47	Cheng-chau Chiu	1	31	1	2
47	Masahiro Ehara	1	20	3	8
47	Hartmut Schlenz	1	53	1	1
47	Gregory J O Beran	1	19	2	3
47	José J Baldoví	1	28	2	3
47	Jaewoon Jung	1	22	1	1
47	Robert J Woods	1	67	2	3
47	Mahdi Shirazi	1	64	1	1
47	Gabriel Merino	1	55	2	3
47	Abdul Sattar	1	133	4	1
47	Sam Z Grinter	1	10	1	2
47	Erik R Lindahl	1	14	1	3
47	J Raul Alvarez-Idaboy	1	211	2	1
47	Zhi-Pan Liu	1	42	2	6
47	Noriaki Okimoto	1	13	1	2
47	Ronald N Zuckermann	1	67	2	4
47	Juan M Clemente-Juan	1	28	2	3
47	Yasuteru Shigeta	1	23	1	3
47	Jana Shen	1	12	1	11
47	Richard J Gowers	1	14	1	1
47	Hai Lin	1	19	1	2
47	Masayoshi Nakano	1	23	4	6
47	Josh Milthorpe	1	0	1	2
47	Ricardo O Freire	1	184	1	1
47	Michele Vendruscolo	1	31	9	17
47	Meiheng Lu	1	38	1	2
47	Anita Plazinska	1	10	2	3
47	Erik Donovan Hedegård	1	3	1	5
47	Vikas	1	17	1	4
47	Gregory S Tschumper	1	2	2	7
47	Giulio Vistoli	1	8	4	7
47	Ye Mei	1	7	2	5
47	Cesar Raul Garcia-Jacas	1	42	1	1
47	Roberto Dias Lins Neto	1	42	1	2
47	Taro Udagawa	1	8	1	2
47	Kiamars Eskandari	1	67	1	1
47	Česlovas Venclovas	1	62	2	3
47	Michael M Slepchenkov	1	5	1	1
47	Fabien Cailliez	1	24	1	2
47	Steven C H Hoi	1	17	3	6
47	Laercio Pol-Fachin	1	42	1	1
47	Radomir Iliev Slavchov	1	6	3	5
47	Lorenzo Maschio	1	24	5	7
47	Gloria Mazzone	1	31	1	2
47	Gregory K Pierens	1	131	1	1
47	Notker Rösch	1	31	2	2
47	Hugo Verli	1	42	3	2
47	Jiao Chen	1	35	3	3
47	Emanuele Paci	1	31	2	2
47	Martin Andersson	1	23	2	7
47	Alessandra Forni	1	73	1	1
47	Shantenu Jha	1	23	1	2
47	Thomas Simonson	1	40	1	2
47	Dunyou Wang	1	13	2	2
47	Chun-Jung Chen	1	34	2	3
47	Matthias Lein	1	16	1	1
47	Georgi N Vayssilov	1	31	1	3
47	Uğur Bozkaya	1	18	3	3
47	Thomas Gaillard	1	40	1	1
47	Xin Xu	1	1	2	8
47	Jianhan Chen	1	14	1	2
47	Nicolás Otero	1	12	1	2
47	Makoto Taiji	1	13	1	4
47	Alia V Tadjer	1	6	1	1
47	M Reza Rezapour	1	18	1	3
47	Laura Kingsley	1	26	1	1
47	Dmytro M Hovorun	1	63	5	4
47	Solen Ekesan	1	16	1	1
47	Alexander Hoffmann	1	55	2	4
47	Olga E Glukhova	1	5	2	1
47	Christoffer Heath Turner	1	13	2	4
47	Bernhard Knapp	1	18	2	3
47	Stefan Grimme	1	48	3	11
47	Alan Grossfield	1	83	3	1
47	Thereza A Soares	1	17	2	6
47	Ivan D Welsh	1	16	1	1
47	William Tiznado	1	12	2	4
47	Dirk Bosbach	1	53	6	8
47	Harold A Scheraga	1	2	3	4
47	Alexander Kurnosov	1	17	1	1
47	Paola Gramatica	1	271	1	2
47	Andrea Cavalli	1	31	2	6
47	Huan Rui	1	1,802	1	1
47	Fernando Cortes-Guzman	1	22	2	2
47	Ralf Tonner	1	9	2	5
47	Jan Wenzel	1	131	1	2
47	David Ryan Koes	1	24	1	1
47	Kwang S Kim	1	18	4	9
47	Iñaki Tuñón	1	15	2	5
47	Javier Francisco Muguerza Rivero	1	23	1	1
47	Francesco Fracchia	1	5	1	1
47	Prasad Bharatam	1	28	1	4
47	Tohru Terada	1	32	2	1
47	Raman Kumar Singh	1	18	1	1
47	Minhajul Arfeen	1	28	1	2
47	David Diez	1	3	1	6
47	Saugat Kandel	1	9	1	2
47	Manoj K Shukla	1	7	1	2
47	Eric Ivan I Sanchez Flores	1	22	1	1
47	David van der Spoel	1	14	1	7
47	Alok Sharma	1	133	1	1
47	Stefano Pieraccini	1	73	1	1
47	Jacob Kongsted	1	3	6	15
47	Aaron T Frank	1	28	1	1
47	Joerg Neugebauer	1	8	5	15
47	Attila Tajti	1	22	1	1
47	Andreas W Götz	1	130	1	2
47	Pei Zhao	1	21	1	2
47	Charles L Brooks	1	28	5	8
47	Arunkumar Chitteth Rajan	1	18	1	3
47	Yunju Zhang	1	7	1	3
47	Aleksandr B Sahakyan	1	31	1	2
47	Jean-Didier Maréchal	1	22	1	6
47	David Ferro-Costas	1	9	1	2
47	Pooria Farahani	1	4	1	2
47	Eduardo J Delgado	1	8	1	1
47	Yong Dong Liu	1	6	1	2
47	Aurab Chakrabarty	1	8	1	1
47	Taweetham Limpanuparb	1	0	1	0
47	Gennady Chuev	1	12	1	1
47	Ilia A Solov'yov	1	19	1	2
47	Takaharu Mori	1	22	1	2
47	Peter V Coveney	1	23	2	8
47	David Casanova	1	4	1	8
47	Ol'ha O Brovarets'	1	63	4	3
47	Arjan van der Vaart	1	17	1	2
47	Gurpreet Kaur	1	17	1	3
47	Bin Wang	1	6	1	1
47	Guadalupe Castro	1	9	1	1
47	Xiang Ye	1	8	1	2
47	Jocelyn Sunseri	1	24	1	1
47	Saw Simeon	1	4	1	1
47	Joseba Alberdi-Rodriguez	1	23	1	1
47	Diego Frezzato	1	12	1	1
47	Alexey I Baranov	1	13	1	3
47	Ivana Matanovic	1	2	2	4
47	Darrin M York	1	14	2	9
47	Dan Thomas Major	1	20	1	5
47	Robert K Szilagyi	1	24	2	2
47	Alexander P Lyubartsev	1	18	1	6
47	Michael Florian Peintinger	1	0	1	2
47	Fumio Hirata	1	38	1	1
47	Jose Luis Cabellos	1	55	3	2
47	Alistair P Rendell	1	0	1	4
47	Roberta P Dias	1	17	1	2
47	Song-Ho Chong	1	20	1	2
47	Gabriel Cuevas	1	22	1	2
47	Frank Weinhold	1	59	3	3
47	Wilfred F Van Gunsteren	1	24	1	1
47	Naoyuki Miyashita	1	32	1	1
47	Panwang Zhou	1	38	2	4
47	Natalia Diaz	1	3	1	3
47	Maurice J Marks	1	16	1	1
47	Jorge Barroso	1	55	2	2
47	Pablo M Debiase	1	15	1	2
47	Carlo Camilloni	1	31	5	5
47	Rhys Heffernan	1	133	1	1
47	Andrew L Rohl	1	11	2	3
47	Lando P Wolters	1	65	1	2
47	Doreen Mollenhauer	1	24	1	1
47	Rubicelia Vargas	1	49	1	1
47	Henry F Schaefer	1	6	9	14
47	Czesław Rudowicz	1	6	2	3
47	Zdenek Futera	1	20	1	3
47	Kun Liu	1	6	1	3
47	Xiaoqin Zou	1	10	1	4
47	Tilmann Hickel	1	8	3	11
47	Jose Ricardo Valdes-Martini	1	42	1	1
47	Michal Repisky	1	8	1	3
47	Yonaton N Heit	1	19	1	1
47	Xavier Lucas	1	4	2	3
47	Chanin Nantasenamat	1	4	2	7
47	Olga L Malkina	1	8	1	2
47	Kirill Zinovjev	1	15	1	2
47	Yongna Yuan	1	30	1	2
47	Mateusz Maciejewski	1	2	1	3
47	Po-Jen Hsu	1	1	1	1
47	Daisuke Takahashi	1	38	1	2
47	Micael J T Oliveira	1	23	1	4
47	Charlotte M Deane	1	18	5	5
47	Wojciech Plazinski	1	10	1	2
47	António J C Varandas	1	20	5	5
47	David J Huggins	1	27	1	2
47	Andrey V Solov'yov	1	19	3	5
47	Tao Yang	1	21	1	2
47	Tomás Rocha-Rinza	1	22	1	1
47	Alexey Savelyev	1	136	1	1
47	Thanh N Truong	1	16	1	1
47	Pei-Kun Yang	1	6	1	3
47	Alessandro Di Domizio	1	8	1	1
47	P\u00e9ter G Szalay	1	22	3	5
47	Ángel Rubio Secades	1	23	6	11
47	José Diogo L Dutra	1	184	1	1
47	Mirco Zerbetto	1	12	1	3
47	Andreas Hildebrandt	1	9	1	2
47	Shide Liang	1	34	1	3
47	Luís Pedro Viegas	1	20	1	1
47	Feiwu Chen	1	13	1	1
47	Zhijun Xu	1	42	1	2
47	Yovani Marrero-Ponce	1	42	2	2
47	Guangfeng Zhou	1	22	1	1
47	Masahiko Hada	1	8	3	5
47	Edoardo Fertitta	1	12	1	1
47	Andrei V Bandura	1	24	1	1
47	Dan Berco	1	0	1	0
47	Plamen Atanassov	1	2	8	19
47	Ryoichi Fukuda	1	20	2	4
47	César Mogo	1	4	1	1
47	João Brandão	1	4	1	1
47	Bernd Engels	1	5	3	10
47	Xi Cheng	1	1,802	1	1
47	Fernando Pirani	1	17	3	6
47	G Narahari Sastry	1	15	2	6
47	Bartolomeo Civalleri	1	24	2	5
47	Sergio A Hassan	1	11	1	2
47	Per-Olof Åstrand	1	23	2	1
47	Stephen J Barigye	1	42	1	1
47	Paulina R Martínez-Alanis	1	55	1	1
47	Jinzen Ikebe	1	16	1	1
47	Stefan Günther	1	4	1	4
47	Petr Popov	1	20	1	1
47	Ignacio Perez-Juste	1	9	1	2
47	Thomas Lengauer	1	9	1	2
47	Russo Nino	1	31	2	6
47	Claude Pouchan	1	12	1	3
47	Carmen J Calzado	1	20	2	3
47	Nita Sahai	1	42	1	2
47	Antonio Togni	1	26	3	3
47	Hisashi Okumura	1	34	1	3
47	Jozef Noga	1	8	1	1
47	Xiang Zhao	1	21	2	6
47	Maxim R Rizhikov	1	10	2	1
47	Roy L. Johnston	1	22	4	6
47	Yutaka Maruyama	1	38	1	1
47	Andrea Cavalli	1	31	1	2
47	Juan Jose Torres-Vega	1	12	1	2
47	Jorge Garza	1	49	1	1
47	Francesco Aquilante	1	4	1	3
47	Sebastian Höfener	1	38	1	1
47	Abdullah Ozkanlar	1	83	1	1
47	Sihyun Ham	1	20	1	2
47	Ernesto Contreras-Torres	1	42	1	1
47	Lanyuan Lu	1	17	1	1
47	Krystel El Hage	1	9	1	2
47	Jian-Yong Liu	1	38	2	2
47	Kliment Olechnovič	1	62	2	1
47	Tonghao Shen	1	1	1	1
47	Gurpreet Kaur	1	17	1	2
47	Takeshi Baba	1	23	1	2
47	Soroosh Pezeshki	1	19	1	2
47	Raymundo Hernández-Esparza	1	49	1	1
47	Angel Rubio	1	23	6	12
47	Renzo Cimiraglia	1	22	2	4
47	Nikhil Taxak	1	28	1	2
47	Marco Lorenz	1	24	1	1
47	Rossen Apostolov	1	14	1	1
47	Emine Soydas	1	18	1	1
47	Jong Cheol Jeong	1	12	1	1
47	Charles L Brooks Iii	1	28	1	2
47	Fabian Zeller	1	18	1	2
47	Ahmed A K Mohammed	1	2	1	1
47	Kuldip Paliwal	1	133	1	1
47	Bingjie Hu	1	60	1	1
47	Teng Huang	1	35	3	3
47	Alexander D Mackerell Jr	1	136	1	1
47	Saleh Riahi	1	51	1	2
47	Soumya Ganguly Neogi	1	35	2	1
47	Marc Steinmetz	1	48	1	1
47	Liesner Acevedo-Martínez	1	42	1	1
47	Mark Von Itzstein	1	20	1	4
47	Michael Pippig	1	23	1	1
47	James Lyons	1	133	1	1
47	Sean M Law	1	28	1	2
47	Matthew B Tessier	1	67	1	1
47	Oliver Sala	1	26	1	1
47	Haining Liu	1	13	2	4
47	Jeffrey R Wagner	1	9	1	2
47	Jiabo Li	1	10	1	2
47	Damien J Carter	1	11	1	4
47	Dvir Doron	1	20	1	3
47	Olivia Wise	1	24	1	1

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