Journal of Chemical Theory and Computation

5.3(top 5%)

impact factor

9.0K(top 2%)

papers

410.1K(top 1%)

citations

229(top 1%)

h-index

5.4(top 5%)

extended IF

9.5K

all documents

441.0K

doc citations

425(top 1%)

g-index

Top Authors (by article citations)

#	Author	Articles	Citations	R ARank	R CRank
1	Thomas E Cheatham	2	880	1	2
2	Yan Zhao	2	764	1	1
2	Donald G Truhlar	11	1,813	1	1
4	Christopher Cramer	3	556	2	1
4	Aleksandr V Marenich	3	556	1	1
6	Chaok Seok	1	416	1	1
6	Ken A Dill	2	584	1	1
6	William C Swope	1	416	1	1
6	John D Chodera	2	584	1	1
6	Jed W Pitera	1	416	1	1
11	Alexey V Onufriev	1	334	1	1
11	Carlos L Simmerling	2	404	1	1
11	David A Case	1	334	2	1
11	John T Mongan	1	334	1	1
16	Jean-Philip Piquemal	2	416	1	1
16	G Andrés Cisneros	1	312	1	1
16	Nohad Gresh	2	416	1	1
19	Andrei V Pisliakov	1	304	1	1
20	Sergei Tretiak	1	295	6	4
20	Kenneth M Merz Jr	2	318	3	1
22	Alexander D Mackerell	4	492	1	1
22	Richard W Pastor	1	233	1	1
22	Igor V Vorobyov	2	369	1	1
26	Scott A Showalter	1	231	2	1
26	Rafael Brüschweiler	1	231	3	1
28	Jiali Gao	5	593	1	1
29	Thomas Frauenheim	2	244	5	3
29	Marcus Elstner	1	208	2	2
29	Henryk A Witek	1	208	2	1
29	Rajeev Prabhakar	1	208	1	1
29	Djamaladdin G Musaev	1	208	3	1
29	Stephan Irle	1	208	3	1
29	Guishan Zheng	1	208	1	1
36	Jingjing Zheng	1	207	2	1
37	Edward J Maginn	1	188	2	3
37	Wei Shi	1	188	1	1
40	H Bernhard Schlegel	1	168	1	1
40	Raviprasad Aduri	1	168	1	1
40	David L Mobley	1	168	2	6
40	John SantaLucia	1	168	1	1
44	Pascal Auffinger	1	159	1	1
44	Andrea C Vaiana	1	159	1	1
46	Michael Bühl	1	154	1	1
46	Mark P Waller	1	154	1	1
48	Preston B Moore	1	151	1	1
48	Michele Parrinello	1	151	5	5
48	Michael L Klein	2	211	1	2
48	Bernd Ensing	1	151	1	1
48	Steven Nielsen	1	151	1	1
53	James S M Anderson	2	239	1	1
53	Paul Ayers	3	258	2	3
53	Junia Melin	2	239	1	1
57	Qiang Cui	2	171	1	2
57	Darrin M York	2	176	1	2
57	Kwangho Nam	1	138	1	1
60	James A Platts	1	136	1	1
60	Benoı̂t Roux	2	223	1	2
60	J Grant Hill	1	136	1	1
60	Benoit Roux	2	223	1	2
65	Weitao Yang	2	260	3	2
66	Paulina M Dominiak	1	134	2	1
66	Hiroshi Nakatsuji	1	134	2	2
66	Marc M Messerschmidt	1	134	2	1
66	Jun-ya Hasegawa	1	134	1	1
66	Shigehiko Hayashi	1	134	1	1
66	Philip Coppens	1	134	1	1
72	Russell J Boyd	2	162	1	1
73	Mark S Gordon	1	115	1	2
73	Mark Gordon	1	115	2	3
75	Ramon Costa i Sala	1	113	1	1
75	Michael Filatov	1	113	1	1
75	Ibério De P R Moreira	1	113	1	1
75	Francesc Illas Riera	1	113	4	7
79	Johan Åqvist	1	112	2	1
79	Jens Carlsson	1	112	1	1
81	I-Feng W Kuo	1	110	1	1
81	Jeanet Conradie	2	146	1	3
81	Abhik Ghosh	2	146	1	3
81	Christopher J Mundy	1	110	1	1
81	Liem X Dang	1	110	1	1
87	Friedrich Matthias Bickelhaupt	1	108	5	5
88	Jingzhi Pu	1	107	1	1
88	Alexander D Mackerell Jr	1	107	1	1
90	Richard A Friesner	2	133	1	3
90	Michael R Shirts	2	133	1	3
90	Kai Zhu	2	133	1	1
93	Ivo Cacelli	1	102	1	1
93	Giacomo Prampolini	1	102	2	1
93	Roberto Improta	1	102	4	4
96	Ruslan Kevorkyants	1	94	1	1
96	Tzonka Mineva	1	94	1	1
98	John M Herbert	1	93	1	1
99	Troy W Whitfield	1	87	1	1
99	Susan B Rempe	1	87	1	2
99	Edward Harder	1	87	1	1
102	Dan Thomas Major	1	86	1	1
103	Alessandro Laio	1	78	1	3
103	Ursula Röthlisberger	3	169	2	2
103	William L Jorgensen	4	261	1	1
103	Orlando Acevedo	4	196	1	1
103	Håkan Wilhelm Hugosson	1	78	1	1
108	Mark A Vincent	1	73	1	1
108	Kasper P. Kepp	1	73	1	2
110	R Bruce King	1	71	2	2
110	Henry F Schaefer	2	90	3	6
112	Viktor Hornak	1	70	1	2
112	Asim Okur	1	70	2	2
112	Guanglei Cui	1	70	2	1
115	Jay W Ponder	1	66	1	3
115	Ivano Tavernelli	2	91	2	3
115	O Anatole Von Lilienfeld	2	122	1	2
115	Michael Feig	1	66	1	1
115	Enrico Tapavicza	1	66	1	2
115	Mauricio Coutinho-Neto	1	66	1	2
115	Michael J Schnieders	1	66	1	2
122	Jakub Kaminsky	1	65	1	1
122	Georg Eickerling	1	65	1	1
122	Hans-Jörg Himmel	1	65	3	3
122	Hai Lin	1	65	1	3
122	Frank Jensen	1	65	1	4
122	Wolfgang Scherer	1	65	2	2
122	Markus Reiher	1	65	3	6
129	Peter Pulay	1	64	2	4
130	Guillaume Lamoureux	1	60	1	2
130	Jochen Blumberger	1	60	1	1
130	Ulrike Salzner	2	82	1	1
133	Andriy Kovalenko	1	57	1	3
133	David Casanova	1	57	1	1
133	Sergey Gusarov	1	57	1	1
137	Jeremy C Smith	1	56	3	6
137	Mark E Tuckerman	1	56	1	3
139	Luigi Delle Site	1	55	5	5
139	Kurt Kremer	1	55	2	6
141	Patrik Rydberg	1	54	1	1
141	Ulf Ryde	1	54	2	4
141	Per-Ola Norrby	1	54	1	2
141	Lars Olsen	1	54	1	2
145	Rafael Islas	1	53	1	4
145	René Fournier	1	53	1	1
145	Jorge Barroso	1	53	2	4
145	Thomas Heine	1	53	2	7
150	Walter Thiel	2	100	1	9
150	Feliu Maseras	1	52	4	5
150	Michel Etienne	1	52	1	1
150	Sarah L Price	1	52	2	3
150	Alessandra Magistrato	1	52	2	2
150	Dimitrios A Pantazis	1	52	1	2
150	Daan P Geerke	2	92	1	1
150	John E Mcgrady	1	52	1	3
150	Wilfred F Van Gunsteren	1	52	3	2
150	Arturo Robertazzi	1	52	1	1
160	Johannes Kästner	1	48	1	2
160	Giuliano Alagona	1	48	1	1
160	Hans Martin Senn	1	48	1	2
160	Paul Sherwood	1	48	1	2
160	Bojan Zagrovic	1	48	1	1
160	Caterina Ghio	1	48	1	1
166	Hiromi Nakai	1	46	7	5
166	Yutaka Imamura	1	46	1	1
168	Tomasz A Wesolowski	1	45	1	1
168	Ronald M Levy	1	45	1	3
168	Cezary Czaplewski	1	45	2	2
168	Emilio Gallicchio	1	45	1	2
168	Stanislaw Oldziej	1	45	2	2
168	Kalyan Das	1	45	2	4
168	Edward Arnold	1	45	2	1
168	Eddy Arnold	1	45	1	3
176	YIhan Shao	1	44	2	2
176	Martin Head-Gordon	1	44	3	6
178	Jochen Autschbach	1	43	6	7
178	Vasiliy S Znamenskiy	1	43	1	1
178	Trygve Helgaker	1	43	3	5
178	Julien Michel	1	43	1	1
178	Jonathan W Essex	1	43	1	2
178	Michał Jaszuński	1	43	1	1
184	Nathan A Baker	1	42	2	3
184	Jessica M J Swanson	1	42	1	2
184	Wei Han	1	42	1	1
184	Jason A Wagoner	1	42	1	1
184	Yun-Dong Wu	1	42	1	1
189	Takashi Kubo	1	41	2	8
189	Ignacio Soteras	2	75	1	1
189	François Dehez	2	75	1	1
189	Edith Botek	1	41	4	5
189	Eliseo Ruiz	1	41	3	3
189	Carles Curutchet	1	41	3	3
189	Axel Bidon-Chanal Badia	1	41	1	2
189	János Ángyán	2	75	1	2
189	Masayoshi Nakano	1	41	6	7
189	Hideaki Takahashi	1	41	5	5
189	Santiago Alvarez	1	41	3	3
189	Ryohei Kishi	1	41	4	6
189	Adrià Gil	1	41	1	3
189	Kenji Kamada	1	41	3	7
189	F Javier Luque	2	75	1	3
189	Modesto Orozco López	1	41	1	11
189	Christophe Chipot	2	75	1	1
189	Mariona Sodupe	1	41	3	4
189	Benoît Ît Champagne	1	41	6	7
189	Sílvia Simon Rabasseda	1	41	1	2
189	Luis Rodriguez-Santiago	1	41	2	2
211	J Andrew Mccammon	1	40	3	7
211	Benzhuo Lu	1	40	1	2
213	Zhong-Zhi Yang	1	39	1	1
213	Corinne Lacaze-Dufaure	1	39	1	1
215	Francesco Lelj	2	47	1	1
215	Emilia Sicilia	1	38	2	2
215	Tai-Sung Lee	1	38	1	1
215	Russo Nino	3	66	2	3
215	Carlos Silva-López	1	38	1	1
215	Christopher M Baker	1	38	1	2
215	William G Scott	1	38	1	3
222	Rui-Qin Zhang	1	36	4	6
222	Thomas A Niehaus	1	36	3	5
222	Mariusz Radon	1	36	1	1
222	Akihiro Furube	1	36	1	4
222	Ewa Broclawik	1	36	2	1
227	Kim Baldridge	1	35	2	3
227	Raffaele Borrelli	1	35	1	1
227	Chun Wu	1	35	1	3
227	Andrea Peluso	1	35	1	1
227	Mariangela Di Donato	1	35	1	2
227	Yong Duan	1	35	2	6
233	Klaus Schulten	1	34	1	3
233	Chérif F Matta	1	34	2	3
233	Ignacio Soteras Gutiérrez	1	34	1	1
236	Alessandro Soncini	1	33	1	2
236	Kendall Houk	1	33	2	4
236	Arun Yethiraj	1	33	2	3
236	Xiao Zhu	1	33	1	1
240	Hélio Anderson Duarte	1	31	1	6
240	Luciana Guimaraes	1	31	1	3
240	J Andrés	1	31	2	7
240	Víctor Polo	1	31	1	2
244	Martin B Ulmschneider	1	30	1	3
244	Jan H Jensen	2	47	1	5
244	Junchao Xia	2	47	1	1
244	Ryan P Daly	2	47	1	1
244	Feng-Chuan Chuang	2	47	1	1
244	Jakob P Ulmschneider	1	30	1	2
244	Claudio J Margulis	2	47	1	3
251	Matthew Jacobson	1	29	1	5
251	So Hirata	1	29	2	4
253	Sourav Pal	1	28	1	1
253	Patrizia Calaminici	3	48	1	2
253	Willem Klopper	1	28	5	8
253	Jorge Aguilera-Iparraguirre	1	28	1	1
257	Pilar Redondo	1	27	3	3
257	Nivan Bezerra da Costa Junior	1	27	1	2
257	Gerd B Rocha	1	27	2	2
257	Qi-Shi Du	1	27	1	1
257	Robert J Woods	1	27	1	2
257	Ricardo O Freire	1	27	3	5
257	Carmen Barrientos	1	27	3	3
257	Alfredo M Simas	1	27	2	2
257	Antonio Largo	1	27	2	2
266	Mark A Olson	1	26	1	1
267	Rebecca C Wade	1	25	2	4
267	Christian Gossens	1	25	1	2
269	Renata Tokarz-Sobieraj	1	22	1	1
269	Ian H Williams	1	22	1	1
269	Dorota Rutkowska-Zbik	1	22	1	1
269	Małgorzata Witko	1	22	1	1
273	John F Stanton	1	21	1	4
273	Yannick J Bomble	1	21	1	2
273	Alexei M Shor	1	21	1	3
273	Notker Rösch	1	21	3	6
273	Georgi N Vayssilov	1	21	3	3
273	William F Polik	1	21	1	1
273	Xiao Cheng Zeng	1	21	3	9
281	Antonio Frontera	1	20	1	7
281	Pablo Ballester	1	20	1	9
281	Daniel Escudero	1	20	1	5
281	Antonio Costa	1	20	1	5
281	David Quiñonero	1	20	1	7
281	Junyong Wu	1	20	1	1
281	Pere M Deyà	1	20	1	8
281	Tiziana Marino	2	28	1	4
281	Marirosa Toscano	1	20	1	4
290	Toon Verstraelen	1	19	1	2
290	Douglas J Klein	1	19	1	1
290	Thereza A Soares	1	19	1	1
290	Veronique Van Speybroeck	1	19	4	10
290	Nico F A Van Der Vegt	1	19	1	4
290	Mohamed A Osman	1	19	1	1
290	Maeng-Eun Lee	1	19	1	1
297	Setsuko Nakagawa	1	18	1	1
297	Olga Kronja	1	18	1	2
297	Valerije Vrček	1	18	1	1
297	Hans Ågren	1	18	2	3
301	Luís F Veiros	1	17	2	4
301	Kent S Gates	1	17	3	4
301	Maria Jose' Calhorda	1	17	3	6
301	Julio C Facelli	1	17	1	3
301	Rainer E Glaser	1	17	1	3
301	Marta B Ferraro	1	17	1	1
301	Ujjal Sarkar	1	17	1	2
301	Zhen Hua Li	1	17	1	4
309	Zeferino Gómez-Sandoval	2	20	1	1
309	Andrew Almond	1	16	1	5
309	Anthony J Day	1	16	3	6
309	Victoria A Higman	1	16	1	2
309	Shantenu Jha	1	16	1	2
309	Peter V Coveney	1	16	1	2
309	Gabriel Waksman	1	16	1	3
309	Philip W Fowler	1	16	1	4
317	Cherumuttathu H Suresh	1	15	3	9
317	Joseph J W Mcdouall	1	15	1	3
317	Stefano Evangelisti	1	15	1	1
317	Antonio Monari	1	15	1	3
317	Lichang Wang	1	15	2	3
317	Celestino Angeli	1	15	2	6
317	John P Robinson	1	15	1	1
324	Paolo Lazzeretti	1	14	3	5
324	Shuanghong Huo	1	14	2	2
324	Da-Wei Li	1	14	2	2
324	Dario A Estrin	1	14	1	7
324	Charles Edwin Webster	1	14	1	2
324	Riccardo Zanasi	1	14	2	4
324	Michael B Hall	1	14	2	7
324	Pierre-Francois Loos	1	14	2	2
324	J Ilja Siepmann	1	14	1	5
324	Xavier Assfeld	1	14	3	5
324	Jay C Amicangelo	1	14	1	1
324	Li Han	1	14	1	2
336	Jill E Gready	1	13	1	1
336	Noriaki Okimoto	1	13	1	2
336	Peter L Cummins	1	13	1	1
336	Ivan V Rostov	1	13	1	1
340	Eric V Patterson	1	12	1	2
340	Michael E Foster	1	12	1	1
340	Maria J. Ramos	1	12	6	14
340	Karl Sohlberg	1	12	1	1
340	Hidenori Matsuzawa	1	12	1	1
340	Pedro Alexandrino Fernandes	1	12	5	10
340	Irina Moreira	1	12	1	6
340	Pedro A Fernandes	1	12	2	7
349	Hiroto Tachikawa	1	11	4	5
350	Leif A Eriksson	1	10	6	8
350	Henry Chermette	1	10	1	8
350	Hiroyuki Shinto	1	10	1	2
350	Ko Higashitani	1	10	1	1
354	Jing Kong	1	9	1	1
354	Emil Proynov	1	9	1	1
354	Claudio F Tormena	1	9	3	6
354	Benedetta Mennucci	1	9	4	7
354	Shin-ichiro Sato	1	9	1	1
354	Clarissa O Da Silva	1	9	1	1
354	Ivan Infante	1	9	1	3
354	Massimo Marchi	1	9	1	2
354	Daniel Borgis	1	9	1	3
363	Ibon Alkorta	1	8	9	15
363	Jesus M Ugalde	1	8	3	6
363	Akin Akdag	1	8	1	6
363	Michael L Mckee	1	8	2	2
363	Janet E Del Bene	1	8	4	5
363	Jose Elguero	1	8	8	21
363	Elixabete Rezabal Astigarraga	1	8	1	4
363	Samuel Krimm	1	8	1	1
363	Manuel Yanez	1	8	4	9
363	Otilia Mo Romero	1	8	4	9
363	José Maria Mercero	1	8	2	5
374	Victor D Lakhno	1	7	1	2
374	Vladislav B Sultanov	1	7	1	1
374	Faraj Hasanayn	1	7	1	1
377	Ahren W Jasper	1	6	2	5
377	Lev D Gelb	1	6	1	3
379	Andreas Savin	1	5	1	4
379	Paola Gori-Giorgi	1	5	1	2
379	Alpeshkumar K Malde	1	5	1	6
379	Evans Clifton Coutinho	1	5	2	8
383	Massimo Rudan	1	4	3	4
383	Manuel Jimenez-Estrada	1	4	1	3
383	Enrico Piccinini	1	4	2	2
383	F Marty Ytreberg	1	4	1	1
383	Daniel M Zuckerman	1	4	2	4
383	Barbara Kirchner	1	4	1	7
383	Rossella Brunetti	1	4	2	2
383	Fabio Affinito	1	4	2	2
391	Wolfgang Wenzel	1	3	2	7
391	Mihaly Mezei	1	3	1	2
391	Cristiano Ruch Werneck Guimarães	1	3	1	3
391	Gabriela Barreiro	1	3	1	3
395	Bruce J Palmer	1	2	1	1
395	Vinod Tipparaju	1	2	1	1
397	Eli Pollak	1	1	2	4
398	Ana Martinez	1	0	2	4
398	Alfredo Guevara-García	1	0	2	2

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