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top-authors
Department of Chemistry
3.8K
(top 0.1%)
papers
211.2K
(top 0.1%)
citations
192
(top 0.1%)
h
-index
339
(top 0.1%)
g
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4.2K
all documents
220.0K
doc citations
5.4K
citing journals
Top Authors (by citations)
#
Author
Articles
Citations
R ARank
R CRank
1
Mark E Thompson
176
28,513
1
1
2
Anna I Krylov
229
17,366
1
1
3
Arieh Warshel
131
16,792
1
1
4
Surya Prakash
198
15,670
1
1
5
George A Olah
230
15,632
1
1
6
Peter I Djurovich
65
14,173
1
1
7
G K Surya Prakash
162
8,882
1
1
8
Alain Goeppert
42
8,713
1
1
9
Oleg Prezhdo
193
8,426
1
1
11
Nicos A Petasis
58
6,930
1
1
12
Stephen E Bradforth
80
4,916
1
1
13
YIhan Shao
10
4,816
5
2
14
Stephen R Forrest
15
4,758
5
3
15
Martin Head-Gordon
9
4,699
4
4
16
Ksenia B Bravaya
23
4,584
1
1
17
Chihaya Adachi
6
4,492
6
4
18
Xintian Feng
14
4,379
1
1
19
Charles N Serhan
23
4,186
1
1
20
Lyudmila V Slipchenko
14
4,053
2
3
21
Ralf M Haiges
100
4,051
1
1
22
Peter M W Gill
5
3,985
7
4
23
William A Goddard
5
3,760
11
4
24
Chao-Ping Hsu
4
3,698
6
3
24
Vitaly A Rassolov
4
3,698
4
4
24
Nicholas A Besley
4
3,698
5
4
24
Troy Van Voorhis
4
3,698
6
3
28
Dmitry Zuev
10
3,697
1
1
29
Christian Ochsenfeld
3
3,696
3
2
29
Thomas R Furlani
3
3,696
3
2
31
C David Sherrill
6
3,685
5
4
32
Run Long
49
3,684
1
1
33
Evgeny Epifanovsky
11
3,678
1
1
34
Thomas-C Jagau
11
3,637
1
1
35
David Casanova
12
3,605
2
2
36
Miklos Czaun
14
3,585
1
1
37
Charles E Mckenna
121
3,540
1
1
38
Edina Rosta
10
3,492
3
2
39
Richard L Brutchey
71
3,448
1
1
40
William Goddard
6
3,384
15
4
41
Arik Landau
5
3,378
3
1
42
Hanna Reisler
76
3,362
1
1
43
Steven Gwaltney
4
3,335
4
2
45
Sergey V Levchenko
10
3,205
1
2
46
John M Herbert
4
3,198
4
3
47
Prashant Uday Manohar
3
3,184
1
1
48
Shaama Mallikarjun Sharada
12
3,152
2
1
49
Eric Jon Sundstrom
3
3,114
2
2
50
Tim Kowalczyk
3
3,107
4
2
51
Paul M Zimmerman
3
3,097
7
3
52
WanZhen Liang
3
3,090
7
2
53
Donald G Truhlar
3
3,086
22
7
54
Shane R Yost
2
3,079
3
3
54
Christopher Cramer
2
3,079
27
9
54
Daniel S Lambrecht
2
3,079
6
5
54
John A Parkhill
2
3,079
5
3
54
Andreas W Hauser
2
3,079
2
2
54
Roberto Peverati
2
3,079
6
5
54
Eric J Berquist
2
3,079
3
2
54
Jaehoon Kim
2
3,079
1
1
54
Dirk R Rehn
2
3,079
3
2
54
Nicholas J Mayhall
2
3,079
5
2
54
Narbe Mardirossian
2
3,079
4
3
54
Xing Zhang
2
3,079
6
5
54
Matthew B Goldey
2
3,079
3
2
54
Ryan P Steele
2
3,079
4
3
54
David W Small
2
3,079
2
2
54
Ka Un Lao
2
3,079
4
3
54
Jeng-Da Chai
2
3,079
5
5
54
Jörg Kussmann
2
3,079
2
2
54
Andreas Klamt
2
3,079
1
1
54
Michael Diedenhofen
2
3,079
2
2
54
Alexis T Bell
2
3,079
8
4
54
Takashi Tsuchimochi
2
3,079
3
2
54
Magnus W D Hanson-Heine
2
3,079
4
4
54
Jan Wenzel
2
3,079
2
2
54
Barry D Dunietz
2
3,079
13
5
54
Alán Aspuru Guzik
2
3,079
32
9
54
Igor Ying Zhang
2
3,079
8
4
54
Alec F White
2
3,079
7
5
54
Shervin Fatehi
2
3,079
4
3
54
Aleksandr V Marenich
2
3,079
3
3
54
Keith Lawler
2
3,079
8
2
54
Joseph E Subotnik
2
3,079
8
4
54
Yousung Jung
2
3,079
19
6
54
Robert A Distasio Jr
2
3,079
11
6
54
Henry Lee Woodcock
2
3,079
7
9
54
Ryan M Richard
2
3,079
9
6
54
Kristina D Closser
2
3,079
2
2
54
Zhi-Qiang You
2
3,079
5
4
54
Yu-Chuan Su
2
3,079
1
1
54
Caroline M Krauter
2
3,079
2
2
54
Oleg Vydrov
2
3,079
1
1
54
Leif D Jacobson
2
3,079
3
2
54
Adrian W Lange
2
3,079
3
2
100
Debashree Ghosh
9
3,072
1
1
101
Andrey F Vilesov
55
2,874
1
1
102
Bruce E Koel
82
2,860
1
1
103
Mark S Gordon
2
2,661
12
4
104
Adèle D Laurent
3
2,607
3
1
105
Young Min Rhee
2
2,587
8
2
106
Vladimir A Mandelshtam
11
2,573
2
1
107
Shawn T Brown
1
2,561
17
6
107
Roi Baer
1
2,561
17
4
107
Jun Yang
1
2,561
10
6
107
Jing Kong
1
2,561
4
2
107
Rollin A King
1
2,561
15
8
107
Yan Zhao
1
2,561
20
6
107
Edward G Hohenstein
1
2,561
18
7
107
Gregory J O Beran
1
2,561
14
4
107
Bernard R Brooks
1
2,561
22
9
107
Eric Neuscamman
1
2,561
8
4
107
Xin Xu
1
2,561
15
3
107
Roberto Olivares-Amaya
1
2,561
3
3
107
Deborah L Crittenden
1
2,561
6
3
107
Leslie Vogt
1
2,561
8
3
107
Kai Brandhorst
1
2,561
2
2
107
Rustam Z Khaliullin
1
2,561
9
2
107
Daniel M Chipman
1
2,561
2
2
107
An Ghysels
1
2,561
3
1
107
Henry F Schaefer
1
2,561
54
11
107
Jing Kong
1
2,561
58
10
107
Mark Gordon
1
2,561
16
7
107
Tamar Stein
1
2,561
5
2
107
Florian Häse
1
2,561
17
9
107
Joerg Kussmann
1
2,561
1
1
107
Ben Albrecht
1
2,561
1
1
107
Ester Livshits
1
2,561
3
1
107
Anthony D Dutoi
1
2,561
5
3
137
Jan Florian
26
2,535
1
1
138
S R Narayanan
28
2,291
1
1
139
Noel C Giebink
1
2,178
15
3
139
Hiroshi Kanno
1
2,178
1
1
141
Curt Wittig
64
2,106
1
1
142
Thomas Mathew
55
2,082
1
1
143
Larry Dalton
45
2,037
2
2
144
Wei-Guo Song
16
1,905
2
4
145
John-Paul Jones
6
1,893
1
1
146
Mats Hm Olsson
9
1,873
1
2
147
Vadim Cherezov
18
1,792
3
4
148
Stephen B Cronin
32
1,749
2
2
149
Cheng Zhang
5
1,696
5
2
150
Barry C Thompson
33
1,656
1
2
151
Wei-Hai Fang
27
1,612
3
3
152
Jotheeswari Kothandaraman
13
1,584
1
1
153
Raymond C Stevens
10
1,574
8
6
154
Chongwu Zhou
10
1,547
3
4
155
Peter Z Qin
42
1,544
1
1
156
Shina Caroline Lynn Kamerlin
15
1,502
2
2
157
Brent C Melot
47
1,494
1
1
158
Daniel Sylvinson
18
1,491
1
1
159
Sayan Kar
15
1,479
1
1
160
Sean P Colgan
5
1,443
3
3
161
Cody W Schlenker
5
1,435
4
2
162
Kenneth G Hanson
11
1,434
3
3
163
Smaranda C Marinescu
27
1,427
1
1
164
Chenkun Zhou
7
1,411
3
3
164
Yan Zhou
7
1,411
3
3
164
Haoran Lin
7
1,411
3
6
164
Biwu
7
1,411
4
3
168
Matthew R Pratt
37
1,390
1
1
169
Karl O Christe
61
1,366
1
1
170
Matthew T Whited
11
1,316
2
1
171
Vsevolod Katritch
16
1,309
2
4
172
Yu Tian
6
1,294
4
4
174
Jordi Villà-Freixa
9
1,215
1
1
175
Daniel A Lidar
22
1,196
3
4
176
Fang Wang
21
1,182
1
1
177
Lewis Gomez De Arco
1
1,148
2
2
178
Christopher A Reed
12
1,139
2
2
179
Theo Siegrist
5
1,134
9
4
179
Jennifer N Neu
5
1,134
3
3
181
Gye Won Han
9
1,121
3
4
182
J Peter Toennies
4
1,067
2
1
183
Jasim Uddin
7
1,059
1
1
184
Siyi Wang
9
1,051
1
1
185
Jinbo Hu
10
1,013
1
1
186
Sonia Coriani
13
1,006
5
19
187
Thilini Batagoda
4
991
1
1
188
Alexey V Akimov
16
982
3
4
189
Yuk Y Sham
5
968
4
1
190
Marta L Vidal
11
965
1
1
191
Bruce H Robinson
4
958
4
2
192
Moon-Chul Jung
6
945
1
1
192
Kaushik D Nanda
13
945
1
2
194
Guodan Wei
8
937
1
2
195
Prathamesh Pavaskar
5
933
2
2
196
Roy A Periana
9
922
4
1
197
Linqiu Li
13
917
1
1
198
Courtney A Downes
14
906
1
1
199
Myron F Goodman
28
899
1
5
200
Robert Seidel
17
874
1
1
201
Rasha Hamze
7
839
1
1
202
Samer Gozem
12
835
3
2
203
Alexei Ossadtchi
1
827
6
3
204
Jesmond Dalli
5
826
2
1
205
Bernd Winter
15
802
2
2
206
Jin Liu
7
799
1
1
207
Pavel Pokhilko
11
781
1
1
207
Wei Li
13
781
1
1
209
Jahan M Dawlaty
40
780
1
1
209
Petr P Khlyabich
12
780
1
4
211
Raktim Sen
10
774
1
1
212
Alexander V Nemukhin
17
772
2
2
213
Tomasz A Wesolowski
5
768
2
5
214
Hsiao-Fan Chen
3
761
3
3
215
Chiradeep Panja
17
760
1
1
216
Makoto Arita
4
759
10
3
217
Banghao Chen
3
758
4
2
218
Wenbo Hou
3
754
1
2
219
Alpdogan Kantarci
2
738
9
2
219
William W Parson
6
738
2
2
221
Souradip Malkhandi
8
733
1
2
222
Jaesang Lee
2
731
3
3
223
Andrey E Rudenko
11
711
1
1
224
Rodolphe Jazzar
3
709
7
2
224
Guy Bertrand
3
709
8
5
226
Barry P Rand
3
699
8
4
227
Jeramy D Zimmerman
8
698
2
2
228
Antonio Recchiuti
2
689
2
1
229
Bella L Grigorenko
14
683
2
2
230
Richard W Roberts
20
680
1
1
231
Linjun Wang
9
677
2
4
232
Reinhold Egger
13
675
1
2
233
Robert P Fisher
2
671
5
3
233
Stephane Larochelle
2
671
4
3
235
Wei Hsuan Hung
3
670
8
4
236
Valery V Fokin
12
665
3
5
237
Evgueni Polikarpov
1
664
2
1
238
Jonas C Peters
1
663
9
6
239
Anastasia O Gunina
4
659
1
7
240
Noah Malmstadt
16
658
2
2
241
Béla Török
11
657
3
2
242
Gaurav Bhalla
7
649
1
1
243
Maxim V Ivanov
7
644
2
1
244
Tiglet Besara
2
641
9
3
244
Daniel Lefrancois
2
641
1
1
244
Zhao Yuan
2
641
4
5
247
Nan Chiang
1
638
2
2
248
Jesse L Peltier
2
637
3
2
249
Russell J Holmes
2
635
4
2
250
Sahil Gulania
8
628
1
1
251
Susumu Takahashi
23
625
1
1
252
Cheng Zhang
2
623
9
3
253
Aaron M Lee
2
619
4
4
253
Naoto Ishikawa
2
619
4
4
253
Edward F C Byrd
2
619
4
2
253
David Sherrill
2
619
1
1
257
Samuel H Wilson
15
617
1
3
258
Alexander Benderskii
24
611
1
2
259
Wojciech Skomorowski
5
610
2
1
260
Shirin Faraji
4
606
1
1
260
Hartmut Yersin
5
606
2
2
262
Marco Klähn
4
591
1
1
263
Teresa Head-Gordon
2
590
9
8
264
Mao-Hua Du
4
587
7
6
265
Mehmet Aykol
2
583
2
2
266
Alexey Akimov
6
573
3
3
267
Katarzyna Błażewska
11
571
2
1
268
Clary B Clish
3
567
29
66
269
Marc de Wergifosse
3
566
2
1
270
Bruce Levy
7
565
3
8
270
Terry T Takahashi
17
565
1
1
272
Abegail C Tadle
8
564
1
1
273
Alexandre Tkatchenko
4
562
5
33
274
Ramon Amat
1
556
2
2
274
Miriam Sansó
1
556
5
2
274
Kira M Glover-Cutter
1
556
2
2
277
Andreas Dreuw
2
553
4
13
278
Don B Arnold
4
548
1
1
279
Abel Carreras
2
536
2
1
279
Hanjie Jiang
2
536
2
2
281
Sharon Hammes-Schiffer
2
532
11
11
282
Donal D C Bradley
1
531
36
9
283
Josefine H Andersen
2
530
1
1
284
Michele Soleilhavoup
2
522
4
4
284
Michael J Rogers
8
522
4
8
286
K Birgitta Whaley
2
521
9
12
287
Nicole Bellonzi
1
518
4
3
287
Yuezhi Mao
1
518
13
4
287
Susi Lehtola
1
518
14
9
287
Katherine J Oosterbaan
1
518
4
2
287
James R Gayvert
1
518
2
2
287
Jeffrey B Neaton
1
518
37
20
287
Mario Hernández Vera
1
518
2
1
287
Sebastian Ehlert
1
518
23
18
287
Thomas Markovich
1
518
2
2
287
Yu Zhang
1
518
13
6
287
Kevin Carter-Fenk
1
518
4
4
287
Daniel S Levine
1
518
5
4
287
Marc P Coons
1
518
2
2
287
Jonathan Thirman
1
518
3
2
287
Qingguo Feng
1
518
6
2
287
Kevin J Koh
1
518
7
7
287
Kerwin Hui
1
518
2
2
287
Atsushi Yamada
1
518
6
3
287
Yi-Pei Li
1
518
5
2
287
Hugh G A Burton
1
518
3
2
287
Ádám Jász
1
518
2
1
287
Dennis Barton
1
518
1
1
287
Alex J W Thom
1
518
11
5
287
Alan E Rask
1
518
2
2
287
Kuan-Yu Liu
1
518
3
3
287
Gábor János Tornai
1
518
1
1
287
Alan D Chien
1
518
2
2
287
Run R Li
1
518
2
2
287
Alexander A Kunitsa
1
518
3
2
287
Matthias Loipersberger
1
518
6
3
287
Fabijan Pavošević
1
518
5
2
287
Triet S Nguyen
1
518
2
2
287
Alexander Zech
1
518
6
14
287
Romit Chakraborty
1
518
3
2
287
Jan-Michael Mewes
1
518
2
2
287
Elliot C Rossomme
1
518
2
2
287
Bang Cong Huynh
1
518
1
1
287
Srimukh Prasad Veccham
1
518
2
2
287
Adam Rettig
1
518
2
2
287
Stefanie A Mewes
1
518
4
13
287
Eloy Ramos-Cordoba
1
518
3
2
287
Zsuzsanna Benda
1
518
4
2
287
Jiashu Liang
1
518
2
2
287
Jonathon Witte
1
518
2
2
287
Pierpaolo Morgante
1
518
5
4
287
Alexander C Paul
1
518
3
2
287
Cristina Elizabeth González-Espinoza
1
518
2
1
287
Saswata Dasgupta
1
518
4
2
287
Bhaskar Rana
1
518
2
2
287
Marcus D Liebenthal
1
518
2
2
287
Sven Kähler
1
518
2
1
287
Qinghui Ge
1
518
3
2
287
Norman M Tubman
1
518
3
3
287
Joonho Lee
1
518
6
5
287
Michael F Herbst
1
518
2
2
287
Zhen Tao
1
518
2
1
287
Maximilian Scheurer
1
518
16
9
287
Felix Plasser
1
518
16
18
287
C William Mccurdy
1
518
5
3
287
A Eugene Deprince, Iii
1
518
15
13
287
Adrian L Dempwolff
1
518
3
1
287
Maximilian F S J Menger
1
518
3
2
287
Diptarka Hait
1
518
6
4
287
István Ladjánszki
1
518
3
2
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2
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10
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1
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1
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13
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4
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7
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3
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5
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4
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2
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10
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3
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15
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6
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2
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3
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4
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5
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1
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2
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6
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1
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1
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7
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3
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2
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2
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1
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1
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2
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2
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2
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1
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4
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2
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1
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1
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1
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1
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3
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6
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1
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2
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2
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2
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2
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2
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2
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2
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2
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8
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2
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2
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2
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2
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2
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2
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2
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Aram Amassian
4
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Kenneth R Graham
4
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5
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Liujiang Zhou
2
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8
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3
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19
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Alberto Bossi
2
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2
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9
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Ahmed Aamouche
5
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James C Stroud
2
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2
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6
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2
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5
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4
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3
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1
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1
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9
12
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4
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2
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2
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1
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2
163
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6
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2
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1
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31
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3
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37
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3
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12
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1
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1
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4
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4
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1
156
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6
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1
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52
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4
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1
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780
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5
153
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8
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1
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2
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1
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1
153
1
1
780
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4
153
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5
152
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1
792
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1
151
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7
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James T Triffitt
3
150
3
5
794
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1
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1
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2
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2
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1
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2
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1
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19
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1
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14
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1
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Peter P Doran
1
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11
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1
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6
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2
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7
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6
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1
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249
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1
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1
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7
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9
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2
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8
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2
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1
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8
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1
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1
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5
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1
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1
139
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Frederick G Baddour
3
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5
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3
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3
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3
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Daniel A Ruddy
3
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4
3
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6
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2
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3
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4
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4
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18
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Lili Zhang
2
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2
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6
6
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3
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26
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Frédéric A Perras
1
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11
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Hamed Barabadi
3
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8
12
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4
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1
2
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2
132
17
17
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5
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11
31
861
Ryosuke Jinnouchi
2
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3
3
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Ryoji Asahi
2
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2
3
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1
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Jerônimo Lameira
2
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2
1
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3
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19
20
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Eric T Hoke
3
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5
11
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Christopher H Hendon
3
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6
27
870
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1
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9
13
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John Buckeridge
1
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9
5
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7
129
2
7
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4
128
1
1
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5
128
5
6
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3
128
15
28
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G Barney Ellison
1
128
12
6
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2
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11
3
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2
127
1
1
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Christoph Bostedt
6
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4
22
878
Anna Popova
2
127
3
3
881
Zuowei Xie
2
126
3
3
881
Bruce E Herring
3
126
1
2
881
Zhaomin Hou
3
126
5
7
884
Mark S Sherwin
1
125
17
12
885
Charles Bernando
6
124
2
5
885
David A Dixon
18
124
4
10
885
Vaclav Martinek
2
124
5
3
885
Cong Trinh
3
124
1
1
889
Wissam A Saidi
4
123
6
10
889
Jason E Koglin
1
123
11
19
889
Łukasz Wolański
1
123
1
1
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1
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7
4
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Ganesh Subramanian
1
123
2
5
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Jesse D Coe
1
123
5
13
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Chelsie E Conrad
1
123
4
12
889
Deniz Tuna
1
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3
3
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1
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3
5
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1
123
5
11
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1
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3
10
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1
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6
18
901
James D Martin
1
122
3
3
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Adam K Leibovich
1
122
8
4
901
Zhen-Kun Tang
2
122
9
14
901
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2
122
4
3
901
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1
122
25
32
901
Andrew L Feig
1
122
7
7
901
Zachary D Schultz
1
122
11
5
901
Karen S Bjorkman
1
122
4
2
909
Eudes Eterno Fileti
4
121
1
1
909
Zhidao Xia
2
121
4
5
909
Claudio Villani
4
121
1
3
909
Jürgen Gauss
3
121
1
5
909
Gerardo A Paz-Silva
2
121
4
2
909
Steven M Bischof
4
121
4
5
909
Brandon C Marin
1
121
2
2
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R Dean Astumian
1
120
11
11
917
Bruce S Dunn
5
119
5
34
917
John A Tomko
7
119
3
4
917
Kirk A Peterson
2
119
17
15
920
Ahmad Besaratinia
1
118
2
3
920
Gerd P Pfeifer
1
118
6
8
920
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3
118
1
1
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6
118
1
1
924
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2
117
24
46
924
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1
117
18
13
924
Maya Chaaban
1
117
4
4
924
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1
117
25
7
924
Rehan R Kapadia
5
117
5
6
924
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1
117
8
8
924
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1
117
2
1
931
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1
116
2
1
931
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1
116
11
5
931
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1
116
11
9
931
Andriy Zakutayev
1
116
19
13
931
Allon I Hochbaum
1
116
12
15
931
Robert L Z Hoye
1
116
12
22
931
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1
116
12
13
931
Philip Schulz
1
116
8
11
931
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1
116
21
14
931
Jian Shi
1
116
13
12
931
Laura Schelhas
1
116
17
18
931
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1
116
32
56
931
Tonio Buonassisi
1
116
22
29
931
Aaron M Holder
1
116
8
6
931
Rachel C Kurchin
1
116
4
2
931
Ian C Smith
1
116
9
6
931
Francisco C Marques
1
116
1
1
931
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7
116
1
5
950
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1
115
13
29
950
Seth M Rubin
1
115
5
8
950
Yueh-Lin Loo
1
115
24
43
950
Daniel R Cooper
4
115
2
2
950
Ryan S Mcmullen
5
115
1
1
950
Timothy Tirrell
1
115
1
1
950
Karl A Merrick
1
115
2
2
957
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7
114
1
1
958
Wolfgang G Zeier
4
113
8
28
958
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4
113
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1
960
Chuanyi Jia
4
112
4
5
960
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4
112
2
6
960
V Prakash Reddy
6
112
2
4
960
Xanath Ispizua-Rodriguez
6
112
1
1
964
Shuchen Hsieh
4
111
6
5
964
Richard D Ye
3
111
9
16
964
Kenji Nomiya
1
111
7
5
967
William H Miller
3
110
3
6
967
Sean M O O'connell
6
110
1
1
967
Namit Anand
1
110
1
1
967
Bibek Pokharel
1
110
3
2
971
Sohini Sarkar
5
109
1
1
971
Katharine L Page
3
109
5
21
973
Zuqiang Bian
1
108
14
13
973
Jian-Qiang Wang
1
108
23
29
973
Jacky Qiu
1
108
3
3
973
Michael G Helander
1
108
6
4
977
Jongchan Kim
3
107
4
3
978
Jessica M Grandner
1
106
5
5
978
John D Mccorvy
1
106
12
27
978
Saïd Yous
1
106
3
4
978
Guozhen Zhang
4
106
5
9
978
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2
106
3
4
983
Camila Bacellar
4
104
1
4
983
Michael J O Wakelam
1
104
22
33
985
Vitaly V Kresin
3
103
4
3
985
Craig M Brown
3
103
12
38
987
James J Bonaiuto
1
102
6
3
987
Stella Stopkowicz
2
102
2
4
987
Michael A Arbib
1
102
9
7
987
Venkatesan V Krishnan
1
102
2
1
991
Akira Miyazawa
4
101
1
1
992
Kyriacos C Nicolaou
1
100
14
15
992
Olexandr Isayev
2
100
11
28
992
Julio A Camarero
3
100
4
16
992
Janez Mavri
1
100
8
6
992
Berl R Oakley
3
100
3
31
992
Philip E Mason
4
100
3
11
992
Tillmann Buttersack
4
100
2
2
999
Matthew J Abplanalp
1
99
3
3
999
Eric Herbst
1
99
16
11
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