Computational and Theoretical Chemistry

2.6(top 20%)

impact factor

4.5K(top 5%)

papers

40.1K(top 10%)

citations

56(top 10%)

h-index

2.6(top 20%)

extended IF

4.8K

all documents

42.0K

doc citations

80(top 10%)

g-index

Top Authors (by article citations)

#	Author	Articles	Citations	R ARank	R CRank
1	Peter Politzer	1	333	2	2
1	Jane S Murray	1	333	1	2
3	Leonardo Lo Presti	1	164	2	2
3	Carlo Gatti	1	164	1	2
3	Gabriele Saleh	1	164	1	2
6	Andrei N Enyashin	2	271	1	1
7	Syed Ali Raza Naqvi	1	138	1	1
7	Yu-Zhi Song	1	138	1	1
7	Muhammad Ramzan Saeed Ashraf Janjua	1	138	1	2
7	Zulfiqar Ali Khan	1	138	2	1
7	Muhammad Usman Khan	1	138	1	1
12	Gotthard Seifert	1	120	2	3
13	Zargham Bagheri	1	73	6	8
13	Ali Ahmadi	2	143	7	9
13	Javad Beheshtian	1	73	5	10
17	Hui-Li Xu	2	76	2	2
18	Mohammad Taghi Baei	1	70	8	6
19	Vladimír Lukeš	2	63	1	2
20	Ji Jun Xiao	1	57	1	1
21	Mahdi D Esrafili	2	64	1	2
22	Antonio Monari	1	55	3	1
22	Ying Xue	2	63	1	2
22	Wei Chu	1	55	4	7
22	Xavier Assfeld	1	55	3	1
22	Thibaut Very	1	55	1	1
22	Jean-Louis Rivail	1	55	1	1
28	Teresa Rodriguez-Blas	1	54	2	3
28	David Esteban	1	54	2	3
28	Andres de Blas	1	54	2	3
28	Martín Regueiro-Figueroa	1	54	1	1
28	Carlos Platas-Iglesias	1	54	3	5
33	Jessica M Rimsza	1	52	1	1
34	Weihua Zhu	1	50	2	2
35	Federico Palazzetti	1	47	1	1
35	Amedeo Capobianco	1	47	1	2
35	Andrea Lombardi	1	47	1	2
35	Alessandra F Albernaz	1	47	1	1
39	Cong Chen	1	45	1	1
39	Jijun Zhao	3	112	1	9
39	Xiaoming Huang	1	45	3	3
39	Ning Zhang	1	45	1	2
43	Ibon Alkorta	3	64	4	5
43	Long-Jiu Cheng	2	58	2	2
43	Cristina Trujillo	2	50	1	3
43	Goar Sánchez-Sanz	3	62	2	5
43	Jose Elguero	3	64	4	5
48	Aleksey E Kuznetsov	1	42	1	1
49	Jean-Philip Piquemal	1	41	3	3
49	Jose Manuel Recio	1	41	1	2
49	Poonam Tandon	2	53	2	1
49	Julia Contreras-Garcia	1	41	3	5
49	Monica Calatayud	1	41	2	2
49	Anubha Srivastava	1	41	1	1
49	Poonam Rawat	2	53	1	2
56	Marcin Palusiak	1	40	3	3
56	Piotr Matczak	2	59	1	2
56	Małgorzata Domagała	1	40	1	1
59	Mesfin Tsige	1	37	2	2
59	David S Perry	1	37	1	1
59	Yeneneh Y Yimer	1	37	2	1
62	Mikhail V Ryzhkov	1	36	1	1
62	Bernard Delley	1	36	1	1
62	Sergei N Adamovich	1	36	3	1
65	Mehdi Yoosefian	2	69	2	2
65	Haydar Raissi	2	69	2	2
65	Heidar Raissi	1	35	2	2
68	Bisheng Tan	1	34	2	1
68	Yunsheng Xue	2	66	1	1
68	Fariba Mollania	1	34	1	2
71	Ana Martin-Somer	1	33	1	1
71	Boaz Oliveira	1	33	1	1
71	Al Mokhtar lamsabhi	1	33	1	1
71	Yong Du	1	33	9	8
71	Gerardine G Botte	1	33	2	5
71	Paul S Bagus	1	33	2	6
71	Damilola A Daramola	1	33	1	1
71	Yifang Ouyang	1	33	2	1
71	Manuel Yanez	1	33	2	3
71	Otilia Mo Romero	1	33	2	3
82	Jordi Poater	2	53	1	1
82	Célia Fonseca Guerra	1	32	1	3
82	Marcel Swart	1	32	2	3
82	Steve Scheiner	1	32	2	4
82	Friedrich Matthias Bickelhaupt	1	32	2	6
87	Ulf Ryde	1	30	2	7
87	Jon Uranga	1	30	1	1
87	Ilya I Marochkin	1	30	1	1
87	Olga V Dorofeeva	1	30	1	1
87	Samuel Genheden	1	30	2	6
92	Marie-Christine Bacchus-Montabonel	1	29	2	2
93	Ricardo Diez Muino	1	28	2	5
93	Maite Alducin	1	28	2	5
93	Joseba Iñai Juaristi	1	28	2	5
93	Ludovic Martin-Gondre	2	45	2	3
97	L Senthilkumar	1	27	1	2
98	Mirosław Jabłoński	1	26	2	2
98	Prasanta K Nandi	1	26	1	1
98	Kaushik Hatua	1	26	1	1
102	Anne M Chaka	1	25	1	1
102	Michael Badawi	1	25	1	1
102	Joanne E Stubbs	1	25	1	2
102	Bao-Jun Wang	1	25	2	5
102	Florent Louis	1	25	2	1
102	Peter J Eng	1	25	1	1
108	Sonia Ilieva	1	24	2	1
108	Boris Galabov	1	24	1	1
108	Emilio L Angelina	1	24	1	2
108	Emildo Marcano	1	24	1	1
108	Diana V Cheshmedzhieva	1	24	2	1
108	Sara E Mason	1	24	1	2
108	Sílvia Simon Rabasseda	1	24	1	1
108	Emilio Squitieri	1	24	1	1
108	Thomas P Trainor	1	24	1	3
117	Ahmad Irfan	1	23	3	6
117	Ram Devanathan	1	23	1	3
117	Bill Poirier	1	23	2	2
117	Alireza Fattahi	1	23	3	5
117	Ruifa Jin	1	23	1	1
117	Thomas S Hofer	1	23	2	4
117	Denis Sh Sabirov	1	23	2	2
117	Rita Kakkar	1	23	1	1
117	William J Weber	1	23	6	9
117	Xueqiang Qi	1	23	1	5
117	Jincheng Du	2	33	2	4
117	Bernd M Rode	1	23	3	4
129	George C Schatz	1	22	5	10
129	Alimi Kamel	1	22	4	2
129	Jochen Autschbach	1	22	4	9
129	Zhaoxu Wang	1	22	1	1
129	Xun-Lei Ding	1	22	2	11
134	Miquel Solà	1	21	4	5
134	Xavier Solans-Monfort	1	21	2	3
134	Yuji Mochizuki	2	31	2	2
134	Hirotoshi Mori	1	21	1	2
134	Francisco Nunez-Zarur	1	21	1	2
134	Yuto Komeiji	1	21	1	2
134	Mariona Sodupe	1	21	2	4
134	Alfonso Hernández-Laguna	1	21	1	1
134	Luis Rodriguez-Santiago	1	21	1	2
143	Xian-you Wang	1	20	8	13
143	Stephen J Jenkins	1	20	2	3
143	James A Platts	1	20	3	6
143	David J Wales	1	20	2	7
143	Zhenhua Yang	1	20	1	4
143	Andrea Alparone	1	20	3	1
143	Vahid Saheb	1	20	1	1
143	Marco Sacchi	1	20	2	2
143	Konstantinos Gkionis	1	20	1	1
152	Alireza Najafi Chermahini	1	19	1	3
152	Dongxu Tian	2	32	1	1
152	Prodeep Phukan	1	19	4	5
152	Alireza Salimi Beni	1	19	1	1
152	Kalyan Kumar Das	2	29	1	2
157	Yan-Bo Wu	1	18	2	3
157	Agusti Lledos	1	18	4	10
157	Elena S Shubina	1	18	1	4
157	Natalia V Belkova	1	18	1	3
157	Christine M Aikens	1	18	3	6
157	Mao-Xia He	1	18	2	2
157	Oleg A Filippov	1	18	2	4
157	Markus Schröder	1	18	1	1
157	Benjamin Lasorne	1	18	2	2
157	Sylvain Picaud	1	18	1	3
157	Hans-Dieter Meyer	1	18	3	5
157	Ricardo Faccio	1	18	2	4
157	Pablo A Denis	1	18	1	4
157	Oriol Vendrell	1	18	1	3
157	Federico Iribarne	1	18	1	4
157	Fabien Gatti	2	22	2	3
175	Ramón Sayós	1	17	2	3
175	Houshang Najafi	1	17	2	2
175	Pascal Larregaray	3	40	1	2
175	Xiaohong Zheng	1	17	2	3
175	Debasish Koner	1	17	1	1
175	Aditya N Panda	1	17	1	2
175	Pablo Gamallo	1	17	3	4
175	Tony Ford	1	17	2	2
175	Huai-Qian Wang	2	23	1	1
175	Valeria Pittala	1	17	1	3
175	Cosimo Gianluca Fortuna	1	17	2	2
175	Changyong Qin	1	17	1	1
175	Alessandro Giuffrida	1	17	1	2
175	Hui-Fang Li	2	23	1	1
189	S Hooman Vahidi	1	16	1	1
189	S Ali Beyramabadi	1	16	2	2
189	Ali Morsali	1	16	7	7
189	Mina Ghiasi	2	32	1	1
189	Mansour Zahedi	4	40	1	1
189	Hua-Qing Yang	1	16	1	1
189	Chang-Wei Hu	1	16	5	9
189	Ali Morsali	1	16	1	1
189	Guochun Yang	2	25	1	3
189	Mohamad Zaman Kassaee	1	16	1	2
189	Masoud Arabieh	4	40	1	1
200	Ernesto Garcia	1	15	2	3
200	Nabanita Saikia	1	15	1	3
200	Joaquin Espinosa-Garcia	1	15	2	4
200	Vikas D Ghule	1	15	1	4
200	Michał A Dobrowolski	1	15	1	2
200	Dariusz W Szczepanik	1	15	1	3
200	Kentaro Doi	2	19	1	1
200	Mohammednoor K Altarawneh	1	15	1	2
200	Wojciech P Oziminski	3	30	1	2
200	Jakub Pšenčík	1	15	1	2
200	Sinisa Vukovic	1	15	1	3
200	Jose C Corchado	1	15	1	3
200	Roman Tuma	1	15	1	3
200	Ala'a H Al-Muhtaseb	1	15	2	5
200	Ajay Misra	1	15	1	4
200	Patrick Bultinck	1	15	3	6
200	Jan Alster	1	15	1	1
200	Ibrahem Altarawneh	1	15	1	1
220	Yongliang Yong	1	14	1	2
220	Bin Song	1	14	1	4
220	Laurent Bonnet	2	23	1	1
220	Ning Zhao	1	14	1	3
220	Andrej Perdih	1	14	1	5
220	Animesh K Ojha	2	22	1	2
220	Patricio F Provasi	1	14	1	2
220	Sanjit Dey	1	14	1	1
220	Stephan P A Sauer	1	14	3	4
220	Tahir Cagin	1	14	2	2
220	Snehasis Banerjee	1	14	1	1
231	Wolfgang Windl	1	13	1	6
231	Vicenzo Barone	1	13	4	9
231	Blas P Uberuaga	1	13	3	9
231	Xuefeng Fu	1	13	1	2
231	Ting-Jun Hou	1	13	6	12
231	Saied M Soliman	2	23	1	1
231	Kanekazu Seki	1	13	1	1
231	Wei Wang	1	13	1	4
231	Yuji Kohno	1	13	1	1
231	Todd M Alam	1	13	1	2
231	Nico Sanna	1	13	1	2
231	Guo-Qun Liu	1	13	1	1
231	Huilong Dong	1	13	1	2
231	Youyong Li	1	13	6	12
231	Kazuyoshi Ueda	1	13	1	3
231	Jianzhong Chen	1	13	2	2
231	Ze-Rong Li	1	13	1	2
231	Xiang-Yuan Li	1	13	3	4
231	Jun Li	1	13	3	5
231	Xuejing Liu	1	13	1	1
231	Agnie Kosmas	1	13	1	1
253	Antonio Frontera	2	19	2	8
253	Kamalika Ghatak	1	12	1	2
253	Brendan Kelly	1	12	1	1
253	Mrinalini D Deshpande	1	12	1	1
253	Isabel Rozas	1	12	1	3
253	Yu-Ling Song	1	12	1	1
253	David Quiñonero	2	19	1	5
253	Pere M Deyà	2	19	1	6
253	Silvia Brandán	1	12	1	3
253	Claude Pouchan	1	12	2	5
253	Kurtis M Carsch	1	12	1	1
253	Jaafar Jalilian	1	12	1	1
265	Jinxiang Dong	1	11	4	8
265	Qiang Zhao	1	11	1	5
265	Wen-Jing Shi	3	25	1	1
265	Qiang Zhao	1	11	1	4
265	Joaquim C G Esteves Da Silva	1	11	5	11
265	Stephane Tesson	1	11	1	1
265	Nelly Gonzalez-RIvas	1	11	1	2
265	Aurelie Perrier	1	11	1	6
265	Amar M Kamat	1	11	1	2
265	Tianlei Zhang	2	19	1	2
265	Silvia S Jurisson	1	11	1	2
265	Jinping Li	1	11	2	4
265	Denis Jacquemin	1	11	7	15
265	Elvira Guardia	1	11	2	3
265	Wen-Liang Wang	1	11	1	3
265	Luís Pinto da Silva	1	11	3	7
265	Jan Cz Dobrowolski	1	11	2	6
265	Alice R Walker	1	11	1	1
265	Andres Cedillo	1	11	2	1
265	Fu-de Ren	3	25	1	1
265	Marco Masia	1	11	1	2
265	Sławomir J Grabowski	1	11	1	2
265	Subhi Baishya	1	11	1	1
265	Anoop Kumar Pandey	1	11	2	3
291	Kumaradhas Poomani	3	22	1	3
291	Abdelkrim A Roumili	1	10	1	1
291	Angela K Wilson	1	10	5	6
291	Kameron R Jorgensen	1	10	1	1
291	Ricardo Perez de Tudela	1	10	1	3
291	Petr Vaňura	1	10	3	4
291	John C Mauro	1	10	3	6
291	Luiza Buimaga-Iarinca	1	10	1	2
291	Shigenori Tanaka	1	10	1	2
291	Zhifei Zhang	1	10	1	1
291	Motoyuki Shiga	1	10	1	4
291	Tomás González-Lezana	1	10	3	5
291	Ming-Qiang Huang	1	10	2	2
291	Hiroshi Takeuchi	1	10	1	2
291	Takatoshi Fujita	1	10	1	2
291	David López-Durán	1	10	1	2
291	Emanuel Makrlík	1	10	4	4
291	Pablo Villarreal	1	10	3	4
310	Qingfeng Ge	1	9	1	7
310	Somsak Pianwanit	1	9	1	3
310	Andrzej Nowacki	2	17	1	2
310	Lin Du	1	9	2	3
310	Tao Liu	1	9	1	1
310	Sierra Rayne	2	17	1	1
310	Donghai Mei	1	9	3	7
310	Manef Abderrabba	1	9	3	12
310	Hsin-Tsung Chen	1	9	2	4
310	Luis R Domingo	1	9	7	10
310	Haider Abbas	1	9	1	2
310	Likai Du	1	9	1	3
310	Zhongmin Su	3	24	9	23
310	Majdi Hochlaf	1	9	2	6
310	Jiangfeng Gong	2	9	1	5
310	Sean C Smith	1	9	4	11
310	María J Aurell	1	9	1	4
310	Barbara Dmochowska	2	17	1	1
310	Marlies Hankel	1	9	1	3
310	Shinkoh Nanbu	1	9	2	4
310	Ahmed M El-Nahas	2	16	1	1
310	Junyong Wu	2	16	1	1
310	Karol Sikora	2	17	1	1
310	Chunmei Tang	2	9	1	1
310	Yang Xiao	1	9	1	2
310	Huiyong Wang	1	9	2	11
310	Estela Blaisten-Barojas	1	9	1	1
310	Yanwei Li	1	9	1	1
310	Alfred Karpfen	1	9	1	1
340	Pascal Honvault	1	8	2	4
340	Maria G Khrenova	1	8	1	2
340	Shaoli Liu	2	9	1	1
340	George Maroulis	1	8	1	3
340	Dmitry I Morozov	1	8	1	2
340	Szilárd Varga	1	8	1	2
340	Natalia Linde	1	8	1	1
340	Alexander V Nemukhin	1	8	1	7
340	Zhiyuan Geng	2	9	1	1
340	Janusz Madaj	1	8	1	2
340	Chenghua Zhang	1	8	1	1
340	Hendrik G. Kruger	1	8	4	14
340	Thishana Singh	1	8	1	1
340	Bella L Grigorenko	1	8	1	4
340	Krishna Bisetty	1	8	1	4
355	Wei Guan	1	7	3	6
355	Qi-Jun Liu	1	7	1	2
355	Mei-Shan Wang	2	11	2	5
355	Yu Harabuchi	1	7	1	1
355	Chuan-Lu Yang	2	11	2	4
355	Mahmoud Mirzaei	1	7	3	3
355	Willian R Rocha	1	7	2	6
355	Tetsuya Taketsugu	1	7	4	8
355	Udo Schnupf	1	7	2	3
355	Andrew L Cooksy	1	7	1	3
355	Pei-Yu Zhang	2	13	2	4
355	Antonio Bauzá	1	7	4	8
355	Ademir Neves	1	7	2	4
355	Akira Nakayama	1	7	1	2
355	Domingo Madrigal	1	7	1	1
370	Jerzy Leszczynski	1	6	8	21
370	Paola Benzi	1	6	1	1
370	Felice Grandinetti	1	6	1	1
370	Ernani A Basso	1	6	1	1
370	Weichao Zhang	1	6	1	1
370	Rodrigo M Pontes	1	6	1	1
370	Houlei Gan	1	6	1	2
370	Gisele F Gauze	1	6	1	2
370	Wagner Richter	1	6	1	2
370	Reza Ghafouri	1	6	2	8
370	Maryam Anafcheh	1	6	2	8
370	Ajay Chaudhari	1	6	4	7
370	Mateusz Marianski	1	6	2	4
370	Di Wu	1	6	1	8
370	Min-Quan Kuang	1	6	3	3
370	Amparo Asensio	1	6	1	3
370	Panwang Zhou	1	6	1	3
370	Hiroshi Tatewaki	1	6	1	1
370	Lorenza Operti	1	6	1	2
370	Robert Wieczorek	1	6	1	1
370	Shigeyoshi Yamamoto	1	6	1	1
370	Stefano Borocci	1	6	1	1
392	Shigeaki Morita	1	5	1	3
392	Rafik Karaman	1	5	3	6
392	Sean P Collins	1	5	1	1
392	Russell J Boyd	2	6	1	4
392	Rahim Ghadari	2	8	1	2
392	Roman Leitsmann	1	5	1	1
392	Najoua Derbel	1	5	1	3
392	Jarosław Handzlik	1	5	1	3
392	Xiao-Fang Chen	1	5	1	1
392	Wei-Peng Lai	1	5	1	1
392	Andrzej Eilmes	1	5	1	2
392	Matheus P Freitas	1	5	2	13
392	Futing Xia	1	5	1	1
392	Agnieszka Brzyska	1	5	1	1
392	Shridhar P Gejji	1	5	1	4
392	Matthias Schaller	1	5	1	1
408	Vitaly V Porsev	1	4	1	2
408	Hossein Roohi	1	4	1	3
408	Wenhui Duan	1	4	3	9
408	Alejandro Toro-Labbe	1	4	2	8
408	Li Yang	1	4	1	1
408	William Hase	1	4	4	11
408	Giorgos Fagas	1	4	1	5
408	Titus Adrian Beu	1	4	1	2
408	Alexander V Tulub	1	4	1	3
408	Mohammad Reza Momeni Taheri	2	4	1	2
408	Ricardo Inostroza-Rivera	1	4	1	1
408	Van-Hung Hoang	1	4	1	1
408	Morteza Vahedpour	1	4	2	2
408	Bárbara Herrera	1	4	1	2
408	Walter C Ermler	1	4	1	1
408	Van-Hoang Le	1	4	1	2
408	Joanna Sadlej	1	4	2	5
425	Piotr Cysewski	1	3	1	3
425	Karel D Klika	1	3	1	4
425	Beata Szefler	1	3	2	5
425	Fu-Quan Bai	1	3	4	11
425	Denis Chachkov	1	3	4	5
425	Xiang Zhu	1	3	1	12
425	Pradip K Bhattacharyya	1	3	1	2
425	Petri Tähtinen	1	3	1	4
425	Domingo Dominguez	1	3	1	1
425	Yunxiang Lu	1	3	1	8
425	Mikko Metsä-Ketelä	1	3	2	9
425	Armando Navarro-Vázquez	1	3	3	5
437	Irma Chacón	1	2	1	2
437	Yan Su	1	2	1	4
437	Murat Duran	1	2	1	2
437	Ivana Djordjevic	1	2	1	2
437	Sridhar Sahu	1	2	1	1
437	Anne-Marie Kelterer	1	2	1	1
437	Abdulhakim A Ahmed	1	2	1	1
437	Liu-Ming Yan	1	2	2	2
437	Jose Carneiro	1	2	2	8
437	Weizhou Wang	1	2	1	9
437	Maciej Bobrowski	1	2	1	2
448	Viwat Vchirawongkwin	1	1	1	6
448	Tapan K Ghanty	1	1	4	6
448	Xiao-Ying Zhang	1	1	2	11
448	Xiuhui Zhang	1	1	2	2
448	Chun-Guang Liu	1	1	1	5
448	Shuwei Tang	1	1	1	3
448	Oriana Brea	1	1	1	2
448	Zhengyuan Tu	1	1	1	1
448	Lin Ji	1	1	1	2
448	Ravi Joshi	1	1	1	4
448	Celine Leonard	1	1	1	7
448	Marcos Antonio Loroño González	1	1	2	2
460	Marisol Güizado-Rodríguez	1	0	1	0
460	Wang Kedong	1	0	1	2
460	Li-Hua Gan	1	0	2	6
460	Guillermo Ramirez-Galicia	1	0	1	3

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