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1.6
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impact factor
18.5K
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papers
506.1K
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citations
220
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extended IF
19.8K
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518.4K
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414
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g
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Top Authors (by article citations)
#
Author
Articles
Citations
R ARank
R CRank
1
Alejandro Toro-Labbe
2
371
3
1
1
Jorge Ignacio Martínez-Araya
1
365
1
1
1
Peter Politzer
2
645
3
2
1
Jane S Murray
2
645
2
2
5
Tim Softley
3
234
1
1
5
Brianna R Heazlewood
1
233
1
1
7
Miguel A Gonzalez
1
153
1
1
7
Jose L F Abascal
1
153
1
2
7
Carlos Vega
1
153
3
3
7
Eva G Noya
1
153
2
1
7
Carl McBride
1
153
1
1
7
Juan Luis Aragones
1
153
1
1
13
Benjamin Jäger
1
124
1
1
13
Eckard Bich
1
124
1
1
13
Eckhard Vogel
1
124
1
1
13
Robert Hellmann
1
124
2
1
17
Qing-Li Hao
1
113
1
2
17
Xin Wang
1
113
6
8
19
Mark S Gordon
1
98
3
3
19
Lyudmila V Slipchenko
1
98
2
3
19
Mark Gordon
1
98
3
3
22
Angela K Wilson
1
96
3
3
22
Nathan DeYonker
1
96
1
1
22
Thomas R Cundari
1
96
1
1
25
Alan K Soper
1
95
1
1
26
Daniel Gryko
1
83
3
3
26
Peter Schreiner
1
83
5
4
26
Andrey A Fokin
1
83
1
1
26
Peter R Schreiner
1
83
4
4
30
Mehmet Karabacak
1
77
3
3
30
Ali Çoruh
1
77
1
1
30
Mehmet Çinar
1
77
1
1
33
Steven E Wheeler
1
76
3
4
33
David P Tew
1
76
2
2
33
Willem Klopper
1
76
7
6
33
Florian Andreas Bischoff
1
76
1
2
33
Kendall Houk
1
76
3
5
39
Krzysztof Woliński
1
75
1
2
40
Andrew J Schultz
2
76
1
1
40
David A Kofke
2
76
1
1
42
John F Stanton
2
109
1
1
42
Mario Vazdar
1
65
1
1
42
Mario Barbatti
1
65
3
5
42
Martin Head-Gordon
2
96
2
4
42
Hans Lischka
1
65
3
5
48
Lester S Andrews
1
49
5
6
48
Xuefeng Wang
1
49
4
3
50
Jose M Tavares
1
48
2
2
50
P I C Teixeira Or P I Teixeira
1
48
2
2
50
Margarida Telo da Gama
1
48
2
2
53
Michael L Klein
1
47
2
3
53
B L Bhargava
1
47
1
4
55
Georg Ganzenmüller
1
46
1
1
55
Gren N Patey
1
46
1
2
55
Philip J Camp
1
46
1
3
58
Christopher Bevan Barnett
1
45
1
1
58
Kevin J Naidoo
1
45
1
1
60
Mathieu Salanne
1
44
3
5
60
Trygve Helgaker
1
44
3
3
60
Einar Uggerud
1
44
1
1
60
Devin A Matthews
1
44
1
1
64
Gábor Czakó
1
43
2
4
64
Attila G Császár
2
63
2
4
64
Tamás Szidarovszky
1
43
1
1
67
Davi S Vieira
1
42
1
1
67
Thom H Dunning
1
42
2
2
67
David E Woon
1
42
2
2
70
Jan M L Martin
1
41
2
3
70
Amir Karton
1
41
2
2
73
Bernhard Reischl
1
39
1
1
73
Jürgen Köfinger
1
39
1
1
73
Christoph Dellago
1
39
3
4
76
Murat Keceli
1
38
1
1
76
Toru Shiozaki
1
38
2
2
76
So Hirata
1
38
2
4
76
Kiyoshi Yagi
1
38
2
3
76
Michael Hanrath
1
38
1
1
81
Rüdiger-Albert Eichel
1
37
2
3
81
Michael J Hoffmann
1
37
3
6
81
Emre Erdem
1
37
1
3
81
Ebru Erunal
1
37
1
2
81
Hans Kungl
1
37
1
2
86
Barbara J Garrison
1
35
2
4
86
Piotr Piecuch
2
50
2
4
86
Jiří Pittner
1
35
1
2
86
Shikha nangia
1
35
1
2
90
George Jackson
1
33
2
2
90
Andrew J Haslam
1
33
1
1
92
Wesley D Allen
1
32
3
5
92
T Daniel Crawford
2
34
1
3
94
Kippi M Dyer
1
31
1
1
94
Keith Lawler
1
31
2
2
96
Russell J Boyd
1
30
1
2
96
Jesus M Ugalde
1
30
2
4
96
Jason Kenneth Pearson
1
30
1
1
96
Peter M W Gill
1
30
4
6
96
Jason K Pearson
1
30
1
1
101
Sofia Kantorovich
1
29
1
2
101
Alexey O Ivanov
1
29
1
1
101
Elena S Pyanzina
1
29
1
1
101
Benjamin J Irving
1
29
1
1
101
Remco Havenith
1
29
1
2
101
Juan J Cerdà
1
29
2
3
101
Patrick W Fowler
1
29
1
3
101
Christian Holm
1
29
4
5
101
Anthony J H M Meijer
1
29
1
2
101
Jessica Scaranto
2
37
1
1
101
Alexey Ivanov
1
29
1
1
112
Alberto Parola
1
28
2
2
112
Leo Radom
1
28
4
4
112
Bun Chan
1
28
1
1
112
Alex H De Vries
1
28
1
3
112
Janet E Del Bene
1
28
3
3
112
Luciano Reatto
1
28
1
1
112
David A Hrovat
1
28
1
2
112
Weston Thatcher Borden
1
28
1
2
120
Robin Haunschild
1
27
2
2
120
Timothy J Lee
1
27
3
3
120
Per-Olof Westlund
1
27
1
1
120
Xinchuan Huang
1
27
1
2
124
Marc Brecht
1
26
1
2
125
Vinod Subramaniam
1
25
3
10
125
Mohammad Goodarzi
4
76
1
1
125
Alfred J Meixner
1
25
2
5
125
Isidro Cachadiña
1
25
1
1
125
Karim Faez
1
25
2
1
125
Christian Blum
1
25
1
6
125
Dongqing Wei
1
25
1
1
125
Walter Chapman
1
25
2
4
125
Nasser Goudarzi
4
76
1
1
125
Zahra Elmi
1
25
1
1
125
Frank E Schleifenbaum
1
25
1
1
125
Angel Mulero
1
25
1
1
125
Xiang R Chen
1
25
2
2
125
Shekhar Jain
1
25
1
2
125
Frank Schleifenbaum
1
25
1
3
142
Bidyut Saha
1
23
1
1
142
Hong-Cai Zhou
1
23
4
9
144
Jerry Ray Dias
1
22
1
1
144
Jun-Ichi Aihara
1
22
1
4
144
Maodu Chen
2
28
1
2
147
Joel Bowman
1
21
4
5
147
Anna Rita Casavola
1
21
1
1
147
Lorenzo Avaldi
1
21
3
3
147
Paola Bolognesi
1
21
3
4
147
Daniele Catone
1
21
1
3
147
Patrick O'Keeffe
1
21
3
2
147
Stefano Turchini
1
21
1
3
154
Edward F Valeev
1
20
2
3
154
Kele Tatiane Gomes Carvalho
1
20
1
1
154
Shaul Mukamel
1
20
6
12
154
Teodorico C Ramalho
1
20
3
9
154
Luiz Carlos Alves Oliveira
1
20
4
9
154
Eugenio F Souza
1
20
1
1
161
Rafael C Bernardi
1
19
1
1
162
Zhen Hua Li
1
18
1
1
162
Minghua Qiao
1
18
2
3
164
Fred Lado
2
22
1
2
164
Santhanamoorthi Nachimuthu
1
17
1
1
164
Weiqing Yang
3
35
1
1
164
Achille Giacometti
1
17
2
3
164
Giorgio Pastore
1
17
1
4
164
Benjamin G Janesko
1
17
3
6
164
Kittusamy Senthilkumar
1
17
1
2
164
Gustavo E Scuseria
1
17
5
8
164
Yang Mei
1
17
1
2
164
Viktor N Staroverov
1
17
1
3
164
Carlos A Jiménez-Hoyos
1
17
1
2
164
John P Perdew
1
17
2
4
176
Farida Lamari
1
16
3
3
176
Riccarda Caputo
1
16
1
3
176
Danny Kowerko
1
16
1
2
176
Andreas Züttel
1
16
1
4
176
Krishnan Balasubramanian
1
16
1
2
176
Christian von Borczyskowski
1
16
1
3
176
Jörg Schuster
1
16
1
2
183
A K Paul
1
15
2
2
183
Masahiro Ehara
1
15
2
3
183
Satrajit Adhikari
1
15
2
3
183
N G Almarza
1
15
2
2
183
Sonia Ilieva
1
15
1
2
183
Boris Galabov
1
15
1
3
183
Enrique Lomba
2
18
1
2
183
Oluwole Oyewande
1
15
1
1
183
Diana V Cheshmedzhieva
1
15
1
2
183
Subhankar Sardar
1
15
2
2
183
Robert J Low
1
15
1
1
183
Maureen P Neal
1
15
1
1
195
Szabolcs Varga
1
14
2
2
195
M K Bhanarkar
1
14
1
1
195
Giovanni Scalmani
1
14
2
3
195
Aniruddha Chakraborty
3
28
1
1
195
Athanassios Panagiotopoulos
1
14
4
7
195
Mangala Sunder Krishnan
1
14
1
1
195
Mohammad Solimannejad
1
14
1
2
195
Steve Scheiner
1
14
2
3
195
Mohamad Akbar Ali
1
14
1
1
195
Peter Pulay
1
14
3
2
195
Wen-Lin Feng
1
14
2
4
195
Enrique Velasco
1
14
2
2
195
Guishan Zheng
1
14
1
3
208
Mikael Lindgren
1
13
2
5
208
George Kalosakas
1
13
1
2
208
Patrick Norman
1
13
3
5
208
Keisuke Tominaga
1
13
1
3
208
Bertil Eliasson
1
13
1
1
208
Constantinos D Simserides
1
13
1
2
208
Partha Dutta
1
13
1
3
215
Timothy G Wright
1
12
2
3
215
Fernando Bresme
1
12
1
3
215
Robin P Sagar
1
12
1
1
215
Hai-Peng Li
1
12
1
1
215
Humberto G Laguna
1
12
1
2
215
Minerva Gonzalez-Melchor
1
12
1
1
215
Carlos E Manzanares
1
12
1
1
215
Charles W Bauschlicher
1
12
1
2
215
Antonio Carlos Borin
1
12
1
1
215
Jose Alejandre
1
12
1
2
215
Ernest K Lewis
1
12
1
1
226
Eric F May
1
11
1
2
226
Boleslaw Kozankiewicz
1
11
1
2
226
Peter Hore
1
11
2
8
226
Masaharu Isobe
1
11
1
1
230
Cong Chen
1
10
1
3
230
David J Nesbitt
1
10
2
3
230
Maria Isabel Garcia de Soria
1
10
1
3
230
Jayant K Singh
1
10
3
5
230
Emmanuel Trizac
1
10
1
1
230
Sang-kyu Kwak
2
14
1
2
230
Satya Pal Singh
1
10
1
1
230
Jessica L Rouge
1
10
1
1
230
Weizhong Li
1
10
1
2
230
Yongchen Song
1
10
1
2
230
Pablo Maynar
1
10
1
3
230
Thomas A Baker
1
10
1
1
242
Stephen Wilson
2
11
1
1
242
Nigel B Wilding
1
9
1
2
242
Vyacheslav I Yukalov
1
9
3
9
246
John Jairo Molina
1
8
1
2
246
Carlo Pierleoni
1
8
1
6
246
Friedrich Grein
1
8
1
5
246
Oleg N Ulenikov
1
8
2
3
246
Martin Oettel
1
8
2
6
246
G S Grubbs
1
8
2
2
246
Ludmila B Boinovich
1
8
1
4
246
Andrea Pietropolli Charmet
1
8
1
2
246
José M Romero-Enrique
1
8
2
5
246
Luis F Rull
1
8
1
3
246
Stephen Cooke
1
8
3
3
246
Gerhard Kahl
1
8
2
5
246
Lutful Bari Bhuiyan
1
8
1
1
246
Federica Lo Verso
1
8
1
3
246
Kwang S Kim
1
8
5
11
246
Bortolo Matteo Mognetti
1
8
1
4
246
Christopher W Outhwaite
1
8
1
3
246
Igor Saulo Santos de Oliveira
1
8
1
2
246
Barbara Capone
1
8
1
2
246
Peter Virnau
1
8
2
9
246
Christos N Likos
1
8
5
9
246
Alexandre M Emelyanenko
1
8
1
4
246
Sa Cooke
1
8
3
3
246
Gs Grubbs Ii
1
8
1
1
270
Ilja Gerhardt
1
7
1
2
270
Xiao-yu Kuang
2
9
2
1
270
Leonor Cruzeiro
1
7
1
2
270
Fernando Colmenares
1
7
1
1
270
Santos B Yuste
1
7
2
3
270
Aurélien Perera
3
21
1
2
270
Jose A Cuesta
1
7
1
5
270
Tetiana A Zubatiuk
1
7
1
1
270
Gregory S Tschumper
1
7
1
3
270
Fabien Paillusson
1
7
1
2
270
Hajime Torii
1
7
1
1
270
Mariano Lopez de Haro
1
7
1
3
270
Y Martínez-Ratón
1
7
2
2
270
Andres Santos
1
7
2
4
270
Larisa Zoranic
1
7
1
2
270
Vladimir V Ivanov
1
7
1
2
270
Vahid Sandoghdar
2
13
2
8
270
Filippo Tamassia
1
7
1
2
270
Adel M Elsohly
1
7
1
2
270
Bao-Bing Zheng
1
7
1
1
270
Jean-Marc Victor
1
7
1
5
270
Franjo Sokolić
1
7
1
2
294
Vincent Boudon
1
6
2
6
294
Yuriko Aoki
1
6
1
6
294
Yuuichi Orimoto
1
6
1
1
294
Yuanzuo Li
1
6
2
6
294
Xiuhui Zhang
1
6
2
3
294
Jean-Marc Simon
1
6
2
4
294
Prakash Chandra Jha
1
6
2
3
294
Soledad Gutiérrez-Oliva
1
6
2
5
294
Norberto Aquino
1
6
1
2
294
Clare McCabe
1
6
3
5
294
Ioannis S K Kerkines
1
6
2
3
294
Stephan Gotzinger
1
6
1
6
294
N Arul Murugan
1
6
4
5
294
Ersan Demiralp
1
6
1
1
294
Hakan Erkol
1
6
1
1
309
Chandra N Patra
1
5
1
2
309
Klaus Bartschat
1
5
3
4
309
Maude Ferrari
1
5
1
1
309
M Bahaa Khedr
1
5
2
2
309
Oleg Zatsarinny
1
5
2
6
309
Bing Zhang
1
5
1
2
309
Andreas N Unterreiner
1
5
1
2
309
Andreas Hertwig
1
5
1
1
309
James Mitroy
1
5
1
3
309
Alexander Y Galashev
1
5
1
1
309
Oliver Schalk
1
5
1
1
309
David L Cheung
1
5
3
7
309
Swapan K Ghosh
1
5
1
1
309
Michael P Allen
1
5
1
2
309
Matthew Dennison
1
5
1
2
309
Andrew J Masters
1
5
1
2
309
Sayed Osman
1
5
2
2
309
Masoud Nahali
1
5
1
1
309
Tulsi Mukherjee
1
5
1
8
328
Kenneth M Merz Jr
1
4
3
7
328
Yi-Hong Ding
1
4
2
5
328
Xinying Li
1
4
1
3
328
Joshua L Phillips
1
4
1
1
328
Sabre Kais
1
4
2
3
328
Gabriela Nemes
1
4
1
2
334
Jhumpa Adhikari
1
3
1
1
334
Aniekan Magnus Ukpong
2
5
1
1
334
Elena I Davydova
1
3
1
1
334
Tatiana N Sevastianova
1
3
1
1
334
Alexey Timoshkin
1
3
1
8
334
De-Zhan Chen
1
3
2
2
334
Chuanzhi Sun
1
3
1
1
334
Manabendra Sarma
1
3
1
1
334
José Récamier
1
3
1
1
334
Ping-Hong Lai
1
3
1
1
334
Shang-Wu Ding
1
3
1
2
334
W Luis Mochán
1
3
1
2
334
Guiqiu Zhang
1
3
2
3
334
Hsuan-Ying Chen
1
3
1
3
334
Zofia Gdaniec
1
3
1
6
334
Ram Kripal
1
3
2
2
334
Essex Edwards
1
3
1
1
334
Liam Huber
1
3
1
1
334
Z Gdaniec
1
3
1
1
353
Mark R Hoffmann
1
2
1
4
353
Qingzhong Li
1
2
2
5
353
Michel Orrit
1
2
2
5
353
Attila Demeter
1
2
1
1
353
Gergely Tóth
1
2
1
1
353
C David Sherrill
1
2
3
7
353
Matteo Calvaresi
1
2
1
4
353
Huai-Qian Wang
1
2
1
4
353
James N Bull
1
2
1
2
353
Hui-Fang Li
1
2
1
2
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